CHEBI:65959 - geumonoid

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ChEBI Name geumonoid
ChEBI ID CHEBI:65959
Definition A triterpenoid isolated from whole plants of Geum japonicum and has been shown to exhibit inhibitory activity against HIV-1 protease.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H46O5
Net Charge 0
Average Mass 486.68320
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-18-29(7)17-21(32)24(33)26(3,4)22(29)11-14-30(18,19(2)31)16-20-9-10-23-27(5,15-20)12-8-13-28(23,6)25(34)35/h9-10,15,18,21-24,32-33H,8,11-14,16-17H2,1-7H3,(H,34,35)/t18-,21-,22+,23+,24+,27-,28-,29-,30+/m1/s1
InChIKey JYKBQWDGVKFSAL-FAPPRUROSA-N
SMILES [H][C@@]12CC[C@](CC3=C[C@@]4(C)CCC[C@@](C)(C(O)=O)[C@@]4([H])C=C3)([C@H](C)[C@@]1(C)C[C@@H](O)[C@H](O)C2(C)C)C(C)=O
Metabolite of Species Details
Geum japonicum (NCBI:txid321607) Found in whole plant (BTO:0001461). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
HIV protease inhibitor
An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing geumonoid (CHEBI:65959) has role HIV protease inhibitor (CHEBI:35660)
geumonoid (CHEBI:65959) has role metabolite (CHEBI:25212)
geumonoid (CHEBI:65959) is a methyl ketone (CHEBI:51867)
geumonoid (CHEBI:65959) is a monocarboxylic acid (CHEBI:25384)
geumonoid (CHEBI:65959) is a secondary alcohol (CHEBI:35681)
geumonoid (CHEBI:65959) is a triterpenoid (CHEBI:36615)
Synonym Source
(1R,4aR,8aS)-6-{[(1R,2S,4aR,6R,7R,8aR)-2-acetyl-6,7-dihydroxy-1,5,5,8a-tetramethyldecahydronaphthalen-2-yl]methyl}-1,4a-dimethyl-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid IUPAC
Citation Waiting for Citations Type Source
10993241 PubMed citation Europe PMC
Last Modified
07 February 2013