CHEBI:63468 - tirucalla-7,24-dien-3β-ol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tirucalla-7,24-dien-3β-ol
ChEBI ID CHEBI:63468
ChEBI ASCII Name tirucalla-7,24-dien-3beta-ol
Definition A tirucallane triterpenoid that is tirucalla-7,24-diene substituted by a β-hydroxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.71740
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3/t21-,22-,23-,25-,26-,28+,29-,30+/m0/s1
InChIKey DICCPNLDOZNSML-CEEMYSEHSA-N
SMILES [H][C@]1(CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@@H](C)CCC=C(C)C
Metabolite of Species Details
Dysoxylum lenticellatum (IPNI:578201-1) Found in leaf (BTO:0000713). 95% Ethanolic extract of air-dried, powdered leaves and twigs. See: PubMed
Dysoxylum lenticellatum (IPNI:578201-1) Found in twig (BTO:0001411). 95% Ethanolic extract of air-dried, powdered leaves and twigs. 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 tirucalla-7,24-dien-3β-ol (CHEBI:63468) has role plant metabolite (CHEBI:76924)
tirucalla-7,24-dien-3β-ol (CHEBI:63468) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name
(13α,14β,17α,20S)-lanosta-7,24-dien-3β-ol
Synonyms Sources
(3β,13α,14β,17α,20S)-lanosta-7,24-dien-3-ol IUPAC
5α-tirucalla-7,24-dien-3β-ol ChEBI
Δ7-tirucallol ChEBI
tirucalladienol UniProt
tirucalladienol ChEBI
Registry Number Type Source
2340080 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19445469 PubMed citation SUBMITTER
Last Modified
01 October 2014
General Comment
2011-12-22 Needed for the new IUBMB reaction (3S)-2,3-epoxy-2,3-dihydrosqualene = tirucalladienol.