Summary

IMPPAT Phytochemical identifier: IMPHY004949

Phytochemical name: Curcumadiol

Synonymous chemical names:
curcumadiol

External chemical identifiers:
CID:5316212

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Chemical structure information

SMILES:
CC(C1=CCC(C2C(C1)C(C)(O)CC2)(C)O)C

InChI:
InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h5,10,12-13,16-17H,6-9H2,1-4H3

InChIKey:
FNMDHMSGEIODFP-UHFFFAOYSA-N

DeepSMILES:
CCC=CCCCCC7)CC)O)CC5)))))C)O)))))C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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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: Guaiane sesquiterpenoids

NP-Likeness score: 2.742

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Chemical structure download