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 ZINC000072128478
Download Molfile XML SDF
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
Last Modified
08 January 2014