Summary

IMPPAT Phytochemical identifier: IMPHY009909

Phytochemical name: Ethene;2-methoxyphenol;phenol;propanedial

Synonymous chemical names:
curcumin ii

External chemical identifiers:
CID:122130015

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Chemical structure information

SMILES:
Oc1ccccc1.COc1ccccc1O.O=CCC=O.C=C.C=C

InChI:
InChI=1S/C7H8O2.C6H6O.C3H4O2.2C2H4/c1-9-7-5-3-2-4-6(7)8;7-6-4-2-1-3-5-6;4-2-1-3-5;2*1-2/h2-5,8H,1H3;1-5,7H;2-3H,1H2;2*1-2H2

InChIKey:
JJKUCTOYZCODJZ-UHFFFAOYSA-N

DeepSMILES:
Occcccc6.COcccccc6O.O=CCC=O.C=C.C=C

Functional groups:
C=C, CC=O, cO, cOC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.642

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Chemical structure download