CHEBI:71576 - 30-hydroxy-11-oxo-β-amyrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 30-hydroxy-11-oxo-β-amyrin
ChEBI ID CHEBI:71576
ChEBI ASCII Name 30-hydroxy-11-oxo-beta-amyrin
Definition A pentacyclic triterpenoid that is β-amyrin carrying an additional hydroxy substituent at position 30 as well as an oxo group at position 11.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C30H48O3
Net Charge 0
Average Mass 456.70030
Monoisotopic Mass 456.36035
InChI InChI=1S/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1
InChIKey JCGXIYQLRYPHDG-DQOTWGJISA-N
SMILES [H][C@@]12C[C@@](C)(CO)CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C
ChEBI Ontology
Outgoing 30-hydroxy-11-oxo-β-amyrin (CHEBI:71576) has functional parent β-amyrin (CHEBI:10352)
30-hydroxy-11-oxo-β-amyrin (CHEBI:71576) is a cyclic terpene ketone (CHEBI:36130)
30-hydroxy-11-oxo-β-amyrin (CHEBI:71576) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
3β,30-dihydroxyolean-12-en-11-one
Synonyms Sources
(3β)-3,30-dihydroxyolean-12-en-11-one ChEBI
30-hydroxy-11-oxo-β-amyrin UniProt
glycyrrhetol ChEBI
olean-12-en-11-oxo-3β,30-diol ChEBI
Manual Xref Database
CPD-13670 MetaCyc
View more database links
Registry Number Type Source
3123280 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17226461 PubMed citation Europe PMC
22128119 PubMed citation SUBMITTER
Last Modified
17 January 2013