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CHEBI:66156 - salvin B

Default Structure
ChEBI IDCHEBI:66156
ChEBI Namesalvin B
Stars
DefinitionA pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by hydroxy groups at positions 3, 6 and 24 (the 3α,6α stereoisomer). Isolated from Salvia santolinifolia, it exhibits inhibitory activity against cholinesterase.
Last Modified24 April 2013
DownloadsMolfile
FormulaC30H48O5
Net Charge0
Average Mass488.709
Monoisotopic Mass488.35017
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@]1([H])[C@]2(C)CC[C@@H](O)[C@]1(C)CO
InChIInChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-21-26(3)10-9-22(33)27(4,17-31)23(26)20(32)16-29(21,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22+,23+,26+,27-,28+,29+,30-/m0/s1
InChIKeyXRRLUGUSXUFEDF-ZFZJRSJFSA-N
Species of MetaboliteComponentSourceComments
Salvia santolinifolia (ncbitaxon:392689) whole plant (BTO:0001461) PubMed (16596990)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 3.1.1.8 (cholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
ChEBI Ontology
Outgoing Relation(s)
salvin B (CHEBI:66156) has parent hydride ursane (CHEBI:35711)
salvin B (CHEBI:66156) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
salvin B (CHEBI:66156) has role metabolite (CHEBI:25212)
salvin B (CHEBI:66156) is a hydroxy monocarboxylic acid (CHEBI:35868)
salvin B (CHEBI:66156) is a pentacyclic triterpenoid (CHEBI:25872)
salvin B (CHEBI:66156) is a triol (CHEBI:27136)
IUPAC Name 
(3α,6α)-3,6,24-trihydroxyolean-12-en-28-oic acid
Citations