Summary

IMPPAT Phytochemical identifier: IMPHY011649

Phytochemical name: Epoxymurin-A

Synonymous chemical names:
epoxymurin a

External chemical identifiers:
CID:5281161, ChEBI:4813

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Chemical structure information

SMILES:
CCCCCCCCCCCC/C=CCCC1OC1CCCCCCCCCCCCC1=CC(OC1=O)C

InChI:
InChI=1S/C35H62O3/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33-34(38-33)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)37-35(32)36/h19,22,30-31,33-34H,3-18,20-21,23-29H2,1-2H3/b22-19-

InChIKey:
BUQYQSMGNYBXDM-QOCHGBHMSA-N

DeepSMILES:
CCCCCCCCCCCC/C=CCCCOC3CCCCCCCCCCCCC=CCOC5=O)))C

Functional groups:
C/C=CC, CC1=CCOC1=O, CC1OC1C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC=C1CCCCCCCCCCCCC1CO1

Scaffold Graph/Node level:
OC1OCCC1CCCCCCCCCCCCC1CO1

Scaffold Graph level:
CC1CCCC1CCCCCCCCCCCCC1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Linear polyketides

NP Classifier Class: Acetogenins

NP-Likeness score: 1.699

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Chemical structure download