CHEBI:70110 - cornusalterin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cornusalterin B
ChEBI ID CHEBI:70110
Definition A tirucallane triterpenoid that is (13α,14β,17α,20S,23E)-lanosta-23-ene substituted by an oxo group at position 3 and a methoxy group at position 25. It has been isolated from the stem and stem barks of Cornus walteri.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H52O2
Net Charge 0
Average Mass 456.74340
Monoisotopic Mass 456.39673
InChI InChI=1S/C31H52O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,17,21-25H,11-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,24+,25-,29+,30-,31+/m0/s1
InChIKey VXRYSPWFQKBSPW-SGNIKCMYSA-N
SMILES COC(C)(C)\C=C\C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Metabolite of Species Details
Cornus walteri (NCBI:txid16907) Found in stem (BTO:0001300). Previous component: stem bark; 80% Methanolic extract of dried, chopped stems and stem bark See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cornusalterin B (CHEBI:70110) has role plant metabolite (CHEBI:76924)
cornusalterin B (CHEBI:70110) is a 3-oxo-5α-steroid (CHEBI:13601)
cornusalterin B (CHEBI:70110) is a cyclic terpene ketone (CHEBI:36130)
cornusalterin B (CHEBI:70110) is a ether (CHEBI:25698)
cornusalterin B (CHEBI:70110) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name
(13α,14β,17α,20S,23E)-25-methoxylanost-23-en-3-one
Registry Number Type Source
21220907 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21182258 PubMed citation Europe PMC
Last Modified
28 March 2017