Summary

IMPPAT Phytochemical identifier: IMPHY010676

Phytochemical name: (+)-Curcumenol

Synonymous chemical names:
curcumenol

External chemical identifiers:
CID:167812, ZINC:ZINC000001648536, MolPort-020-005-672

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Chemical structure information

SMILES:
CC(=C1C[C@]23O[C@]1(O)C=C([C@@H]3CC[C@@H]2C)C)C

InChI:
InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3/t11-,12-,14-,15+/m0/s1

InChIKey:
ISFMXVMWEWLJGJ-NZBPQXDJSA-N

DeepSMILES:
CC=CC[C@@]O[C@]5O)C=C[C@@H]6CC[C@@H]9C)))))C))))))))C

Functional groups:
CC1=C[C@@]2(O)OC(CC2=C(C)C)C1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CCCC2C=CC1O3

Scaffold Graph/Node level:
CC1CC23CCCC2CCC1O3

Scaffold Graph level:
CC1CC23CCCC2CCC1C3

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 3.272

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Chemical structure download