Summary

IMPPAT Phytochemical identifier: IMPHY015129

Phytochemical name: 7-Epi-10,11-epoxy-ar-curcumen-15-al

Synonymous chemical names:
10,11-epi- or 7-epi-10,11-epoxy-ar-curcumen-15-al

External chemical identifiers:
CID:91747474

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Chemical structure information

SMILES:
O=Cc1ccc(cc1)[C@H](CCC1OC1(C)C)C

InChI:
InChI=1S/C15H20O2/c1-11(4-9-14-15(2,3)17-14)13-7-5-12(10-16)6-8-13/h5-8,10-11,14H,4,9H2,1-3H3/t11-,14?/m0/s1

InChIKey:
NLFRNGVJOBYJLR-ZSOXZCCMSA-N

DeepSMILES:
O=Ccccccc6))[C@H]CCCOC3C)C))))))C

Functional groups:
CC1OC1(C)C, cC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCCC2CO2)cc1

Scaffold Graph/Node level:
C1CCC(CCCC2CO2)CC1

Scaffold Graph level:
C1CCC(CCCC2CC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 1.312

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Chemical structure download