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2-deoxyecdysone
A 3beta-hydroxy steroid that is 5beta-cholestane containing a double bond between positions 7 and 8, and substituted by an oxo group at position 6 and by hydroxy groups at the 3beta, 14alpha, 22 pro-R and 25 positions.

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08. Chemical Category

			main group molecular entity [CHEBI:33579] (25650)

					s-block molecular entity [CHEBI:33674] (7287)

							hydrogen molecular entity [CHEBI:33608] (6932)

								hydroxides [CHEBI:24651] (5641)

									organic hydroxy compound [CHEBI:33822] (3050)

alcohol [CHEBI:30879] (1371)

hydroxy steroid [CHEBI:35350] (392)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

2-deoxyecdysone [CHEBI:19566] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

2-deoxyecdysone [CHEBI:19566] (1)

22-hydroxy steroid [CHEBI:36863] (27)

2-deoxyecdysone [CHEBI:19566] (1)

25-hydroxy steroid [CHEBI:36864] (3)

2-deoxyecdysone [CHEBI:19566] (1)

					p-block molecular entity [CHEBI:33675] (25343)

						chalcogen molecular entity [CHEBI:33304] (15225)

								oxygen molecular entity [CHEBI:25806] (14414)

hydroxides [CHEBI:24651] (5641)

organic hydroxy compound [CHEBI:33822] (3050)

alcohol [CHEBI:30879] (1371)

hydroxy steroid [CHEBI:35350] (392)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

2-deoxyecdysone [CHEBI:19566] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

2-deoxyecdysone [CHEBI:19566] (1)

22-hydroxy steroid [CHEBI:36863] (27)

2-deoxyecdysone [CHEBI:19566] (1)

25-hydroxy steroid [CHEBI:36864] (3)

2-deoxyecdysone [CHEBI:19566] (1)

organooxygen compound [CHEBI:36963] (11352)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

2-deoxyecdysone [CHEBI:19566] (1)

alpha,beta-unsaturated ketone [CHEBI:51721] (238)

enone [CHEBI:51689] (233)

2-deoxyecdysone [CHEBI:19566] (1)

								organochalcogen compound [CHEBI:36962] (11874)

									organooxygen compound [CHEBI:36963] (11352)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

2-deoxyecdysone [CHEBI:19566] (1)

alpha,beta-unsaturated ketone [CHEBI:51721] (238)

enone [CHEBI:51689] (233)

2-deoxyecdysone [CHEBI:19566] (1)

						carbon group molecular entity [CHEBI:33582] (23847)

							organic molecular entity [CHEBI:50860] (23769)

								lipid [CHEBI:18059] (3532)

steroid [CHEBI:35341] (716)

hydroxy steroid [CHEBI:35350] (392)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

2-deoxyecdysone [CHEBI:19566] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

2-deoxyecdysone [CHEBI:19566] (1)

22-hydroxy steroid [CHEBI:36863] (27)

2-deoxyecdysone [CHEBI:19566] (1)

25-hydroxy steroid [CHEBI:36864] (3)

2-deoxyecdysone [CHEBI:19566] (1)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

2-deoxyecdysone [CHEBI:19566] (1)

								heteroorganic entity [CHEBI:33285] (15197)

organochalcogen compound [CHEBI:36962] (11874)

organooxygen compound [CHEBI:36963] (11352)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

2-deoxyecdysone [CHEBI:19566] (1)

alpha,beta-unsaturated ketone [CHEBI:51721] (238)

enone [CHEBI:51689] (233)

2-deoxyecdysone [CHEBI:19566] (1)

								organic hydroxy compound [CHEBI:33822] (3050)

alcohol [CHEBI:30879] (1371)

hydroxy steroid [CHEBI:35350] (392)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

2-deoxyecdysone [CHEBI:19566] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

2-deoxyecdysone [CHEBI:19566] (1)

22-hydroxy steroid [CHEBI:36863] (27)

2-deoxyecdysone [CHEBI:19566] (1)

25-hydroxy steroid [CHEBI:36864] (3)

2-deoxyecdysone [CHEBI:19566] (1)

								organic molecule [CHEBI:72695] (11399)

									organic cyclic compound [CHEBI:33832] (7633)

organic polycyclic compound [CHEBI:51958] (1654)

steroid [CHEBI:35341] (716)

hydroxy steroid [CHEBI:35350] (392)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

2-deoxyecdysone [CHEBI:19566] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

2-deoxyecdysone [CHEBI:19566] (1)

22-hydroxy steroid [CHEBI:36863] (27)

2-deoxyecdysone [CHEBI:19566] (1)

25-hydroxy steroid [CHEBI:36864] (3)

2-deoxyecdysone [CHEBI:19566] (1)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

2-deoxyecdysone [CHEBI:19566] (1)

									organic oxo compound [CHEBI:36587] (5932)

carbonyl compound [CHEBI:36586] (5928)

ketone [CHEBI:17087] (1288)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

2-deoxyecdysone [CHEBI:19566] (1)

alpha,beta-unsaturated ketone [CHEBI:51721] (238)

enone [CHEBI:51689] (233)

2-deoxyecdysone [CHEBI:19566] (1)

			polyatomic entity [CHEBI:36357] (18777)

				molecule [CHEBI:25367] (11520)

						cyclic compound [CHEBI:33595] (7817)

								polycyclic compound [CHEBI:33635] (4078)

organic polycyclic compound [CHEBI:51958] (1654)

steroid [CHEBI:35341] (716)

hydroxy steroid [CHEBI:35350] (392)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

2-deoxyecdysone [CHEBI:19566] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

2-deoxyecdysone [CHEBI:19566] (1)

22-hydroxy steroid [CHEBI:36863] (27)

2-deoxyecdysone [CHEBI:19566] (1)

25-hydroxy steroid [CHEBI:36864] (3)

2-deoxyecdysone [CHEBI:19566] (1)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

2-deoxyecdysone [CHEBI:19566] (1)

								organic cyclic compound [CHEBI:33832] (7633)

									organic polycyclic compound [CHEBI:51958] (1654)

steroid [CHEBI:35341] (716)

hydroxy steroid [CHEBI:35350] (392)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

2-deoxyecdysone [CHEBI:19566] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

2-deoxyecdysone [CHEBI:19566] (1)

22-hydroxy steroid [CHEBI:36863] (27)

2-deoxyecdysone [CHEBI:19566] (1)

25-hydroxy steroid [CHEBI:36864] (3)

2-deoxyecdysone [CHEBI:19566] (1)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

2-deoxyecdysone [CHEBI:19566] (1)

						organic molecule [CHEBI:72695] (11399)

							organic cyclic compound [CHEBI:33832] (7633)

									organic polycyclic compound [CHEBI:51958] (1654)

steroid [CHEBI:35341] (716)

hydroxy steroid [CHEBI:35350] (392)

3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

2-deoxyecdysone [CHEBI:19566] (1)

14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

2-deoxyecdysone [CHEBI:19566] (1)

22-hydroxy steroid [CHEBI:36863] (27)

2-deoxyecdysone [CHEBI:19566] (1)

25-hydroxy steroid [CHEBI:36864] (3)

2-deoxyecdysone [CHEBI:19566] (1)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

2-deoxyecdysone [CHEBI:19566] (1)

							organic oxo compound [CHEBI:36587] (5932)

								carbonyl compound [CHEBI:36586] (5928)

									ketone [CHEBI:17087] (1288)

oxo steroid [CHEBI:35789] (232)

6-oxo steroid [CHEBI:36883] (16)

2-deoxyecdysone [CHEBI:19566] (1)

alpha,beta-unsaturated ketone [CHEBI:51721] (238)

enone [CHEBI:51689] (233)

2-deoxyecdysone [CHEBI:19566] (1)

				heteroatomic molecular entity [CHEBI:37577] (13672)

					hydroxides [CHEBI:24651] (5641)

						organic hydroxy compound [CHEBI:33822] (3050)

							alcohol [CHEBI:30879] (1371)

								hydroxy steroid [CHEBI:35350] (392)

									3-hydroxy steroid [CHEBI:36834] (216)

3beta-hydroxy steroid [CHEBI:36836] (126)

2-deoxyecdysone [CHEBI:19566] (1)

									14-hydroxy steroid [CHEBI:36860] (35)

14alpha-hydroxy steroid [CHEBI:36861] (11)

2-deoxyecdysone [CHEBI:19566] (1)

									22-hydroxy steroid [CHEBI:36863] (27)

2-deoxyecdysone [CHEBI:19566] (1)

									25-hydroxy steroid [CHEBI:36864] (3)

2-deoxyecdysone [CHEBI:19566] (1)

ChEBI Compound Accession Identifier:

[CHEBI:19566]

ChEBI Compound Description:

A 3beta-hydroxy steroid that is 5beta-cholestane containing a double bond between positions 7 and 8, and substituted by an oxo group at position 6 and by hydroxy groups at the 3beta, 14alpha, 22 pro-R and 25 positions.

ChEBI Compound Identification Number:

19566

ChEBI InChI Value:

InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22+,25+,26+,27+/m0/s1

ChEBI InChIKey Value:

CRAPXAGGASWTPU-VQOIUDCISA-N

ChEBI Compound Name:

2-deoxyecdysone

ChEBI SMILES Value:

[H][C@@]1(CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)(C)O

ChEBI Substance ID:

22396044

ChEBI URL:

ChEBI:19566

ChemSpider ID:

10252447

Ontomatica Chemical Accession Key (OnChAKey):

CRAPXAGGASWTPU_VQOIUDCISA_N_000_000000

PubChem Compound ID:

13939876