CHEBI:69502 - rubiyunnanol B

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ChEBI Name rubiyunnanol B
ChEBI ID CHEBI:69502
Definition A pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O2
Net Charge 0
Average Mass 440.70090
Monoisotopic Mass 440.36543
InChI InChI=1S/C30H48O2/c1-18(2)19-9-10-22-28(19,6)15-16-30(8)25-20(11-14-29(22,30)7)27(5)13-12-24(32)26(3,4)23(27)17-21(25)31/h10-11,18-19,21,23-25,31-32H,9,12-17H2,1-8H3/t19-,21-,23-,24-,25-,27+,28-,29+,30-/m0/s1
InChIKey DZVKARMRCYPKBK-CUOZZFPSSA-N
SMILES CC(C)[C@@H]1CC=C2[C@@]1(C)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
Metabolite of Species Details
Rubia yunnanensis (IPNI:765385-1) Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing rubiyunnanol B (CHEBI:69502) has role antineoplastic agent (CHEBI:35610)
rubiyunnanol B (CHEBI:69502) has role metabolite (CHEBI:25212)
rubiyunnanol B (CHEBI:69502) has role plant metabolite (CHEBI:76924)
rubiyunnanol B (CHEBI:69502) is a diol (CHEBI:23824)
rubiyunnanol B (CHEBI:69502) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
(3S,3aS,5aS,5bS,6S,7aR,9S,11aS,13aS)-3a,5a,8,8,11a,13a-hexamethyl-3-(propan-2-yl)-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a-hexadecahydro-2H-cyclopenta[a]chrysene-6,9-diol
Synonym Source
3β,7β-dihydroxyarbor-9(11),18-diene ChEBI
Registry Number Type Source
22020810 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21973054 PubMed citation Europe PMC
Last Modified
08 January 2014