CHEBI:69518 - rubiarbonol G

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ChEBI Name rubiarbonol G
ChEBI ID CHEBI:69518
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 ZINC000072123495
Download Molfile XML SDF
Formula C32H52O5
Net Charge 0
Average Mass 516.75230
Monoisotopic Mass 516.38147
InChI InChI=1S/C32H52O5/c1-18(2)21-15-23(37-19(3)34)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-33)22(35)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,33,35-36H,10-17H2,1-8H3/t21-,22-,23+,24-,25-,26-,27+,29+,30-,31+,32+/m0/s1
InChIKey IPFJEJXCPFOYQR-CRBXCGNKSA-N
SMILES CC(C)[C@@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]1(CO)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): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
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 rubiarbonol G (CHEBI:69518) has role antimicrobial agent (CHEBI:33281)
rubiarbonol G (CHEBI:69518) has role antineoplastic agent (CHEBI:35610)
rubiarbonol G (CHEBI:69518) has role plant metabolite (CHEBI:76924)
rubiarbonol G (CHEBI:69518) is a acetate ester (CHEBI:47622)
rubiarbonol G (CHEBI:69518) is a pentacyclic triterpenoid (CHEBI:25872)
rubiarbonol G (CHEBI:69518) is a triol (CHEBI:27136)
IUPAC Name
(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-6,9-dihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-1-yl acetate
Registry Number Type Source
9308605 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21973054 PubMed citation Europe PMC
Last Modified
09 January 2014