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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
06. Name of Biological Source of Chemical
06. Name of Biological Source of Chemical
Acacia mellifera (1)
07. Part of Biological Source of Chemical
07. Part of Biological Source of Chemical
stem epidermis [PO:0025178] (134)
08. Chemical Category
08. Chemical Category
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
(20R)-28-hydroxylupen-30-al-3-one [CHEBI:66045] (1)
ChEBI Compound Accession Identifier :
[CHEBI:66045]
ChEBI Compound Description :
A pentacyclic triterpenoid that is lupan-30-al with a hydroxy substituent at position 28 and an oxo group at position 3 (the 20R stereoisomer) . Isolated from Acacia mellifera, it exhibits cytotoxicity activity against the NSCLC-N6 cell line, derived from a human non-small-cell bronchopulmonary carcinoma.
ChEBI Compound Identification Number :
66045
ChEBI InChI Value :
InChI=1S/C30H48O3/c1-19(17-31)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-27(4)12-11-24(33)26(2,3)22(27)10-13-29(23,28)6/h17,19-23,25,32H,7-16,18H2,1-6H3/t19-,20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1
ChEBI InChIKey Value :
CBDKCJANRGOIIK-URCKAGISSA-N
ChEBI Compound Name :
(20R)-28-hydroxylupen-30-al-3-one
ChEBI SMILES Value :
[H][C@]1(CC[C@]2(CO)CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])[C@@H](C)C=O
ChEBI Substance ID :
160709739
ChEBI URL :
ChEBI:66045
ChemSpider ID :
NS
Ontomatica Chemical Accession Key (OnChAKey) :
CBDKCJANRGOIIK_URCKAGISSA_N_000_000000
PubChem Compound ID :
70697776