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

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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
tirucalla-7,24-dien-3β-ol UniProt
tirucalladienol ChEBI
Registry Number Type Source
2340080 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19445469 PubMed citation SUBMITTER
Last Modified
24 May 2024
General Comment
2011-12-22 Needed for the new IUBMB reaction (3S)-2,3-epoxy-2,3-dihydrosqualene = tirucalladienol.