CHEBI:67301 - vepaol

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ChEBI Name vepaol
ChEBI ID CHEBI:67301
Definition A limonoid found in Azadirachta indica.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H48O17
Net Charge 0
Average Mass 752.75610
Monoisotopic Mass 752.28915
InChI InChI=1S/C36H48O17/c1-9-15(2)25(39)50-18-11-19(49-16(3)37)33(27(40)45-7)13-47-22-23(33)32(18)14-48-35(43,28(41)46-8)26(32)30(4,24(22)38)36-20-10-17(31(36,5)53-36)34(42)12-21(44-6)52-29(34)51-20/h9,17-24,26,29,38,42-43H,10-14H2,1-8H3/b15-9+/t17-,18+,19-,20+,21+,22-,23-,24-,26+,29-,30-,31+,32+,33+,34+,35+,36+/m1/s1
InChIKey HAIAPLNAMFKNPR-CMRNRKAMSA-N
SMILES CO[C@@H]1C[C@@]2(O)[C@@H](O1)O[C@H]1C[C@@H]2[C@]2(C)O[C@]12[C@@]1(C)[C@@H]2[C@](O)(OC[C@]22[C@H]3[C@@H](OC[C@@]3([C@@H](C[C@@H]2OC(=O)C(\C)=C\C)OC(C)=O)C(=O)OC)[C@H]1O)C(=O)OC
Metabolite of Species Details
Azadirachta indica (NCBI:txid124943) Found in seed (BTO:0001226). Defatted MeOH extract of seeds 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 vepaol (CHEBI:67301) has functional parent tiglic acid (CHEBI:9592)
vepaol (CHEBI:67301) has role plant metabolite (CHEBI:76924)
vepaol (CHEBI:67301) is a acetate ester (CHEBI:47622)
vepaol (CHEBI:67301) is a enoate ester (CHEBI:51702)
vepaol (CHEBI:67301) is a epoxide (CHEBI:32955)
vepaol (CHEBI:67301) is a limonoid (CHEBI:39434)
vepaol (CHEBI:67301) is a methyl ester (CHEBI:25248)
vepaol (CHEBI:67301) is a secondary alcohol (CHEBI:35681)
vepaol (CHEBI:67301) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
dimethyl (2aR,3S,4S,4aR,5S,7aS,8S,10R,10aS,10bR)-10-(acetyloxy)-3,5-dihydroxy-4-[(1aR,2S,3aR,5S,6aS,7S,7aS)-6a-hydroxy-5-methoxy-7a-methylhexahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}octahydro-1H-naphtho[1,8a-c:4,5-bʼcʼ]difuran-5,10a(8H)-dicarboxylate
Registry Number Type Source
4641422 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381696 PubMed citation Europe PMC
Last Modified
31 March 2015