CHEBI:91266 - vitetrifolin D

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ChEBI Name vitetrifolin D
ChEBI ID CHEBI:91266
Definition A labdane diterpenoid that is isolated from the fruits of Vitex trifolia L and Vitex negundo.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C24H38O5
Net Charge 0
Average Mass 406.556
Monoisotopic Mass 406.27192
InChI InChI=1S/C24H38O5/c1-9-23(7,27)13-14-24(8)15(2)20(28-16(3)25)21(29-17(4)26)19-18(24)11-10-12-22(19,5)6/h9,15,20-21,27H,1,10-14H2,2-8H3/t15-,20-,21+,23?,24-/m1/s1
InChIKey JSGVRMXIAILPPO-FWPWNEHFSA-N
SMILES C1CCC(C2=C1[C@]([C@@H]([C@H]([C@H]2OC(=O)C)OC(=O)C)C)(C)CCC(C=C)(C)O)(C)C
Metabolite of Species Details
Vitex trifolia (NCBI:txid204215) See: PubMed
Vitex negundo (NCBI:txid361442) 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.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing vitetrifolin D (CHEBI:91266) has role antineoplastic agent (CHEBI:35610)
vitetrifolin D (CHEBI:91266) has role apoptosis inducer (CHEBI:68495)
vitetrifolin D (CHEBI:91266) has role plant metabolite (CHEBI:76924)
vitetrifolin D (CHEBI:91266) is a acetate ester (CHEBI:47622)
vitetrifolin D (CHEBI:91266) is a carbobicyclic compound (CHEBI:36785)
vitetrifolin D (CHEBI:91266) is a labdane diterpenoid (CHEBI:36770)
vitetrifolin D (CHEBI:91266) is a olefinic compound (CHEBI:78840)
vitetrifolin D (CHEBI:91266) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(1S,2R,3S,4R)-4-(3-hydroxy-3-methylpent-4-en-1-yl)-3,4,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,2-diyl diacetate
Manual Xref Database
C00033484 KNApSAcK
View more database links
Registry Numbers Types Sources
351427-18-4 CAS Registry Number KEGG COMPOUND
9160882 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11975496 PubMed citation SUBMITTER
15621610 PubMed citation SUBMITTER
23403897 PubMed citation Europe PMC
23522912 PubMed citation Europe PMC
23662135 PubMed citation Europe PMC
Last Modified
19 April 2016