Summary

IMPPAT Phytochemical identifier: IMPHY017816

Phytochemical name: (R,Z)-2-Methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-1-ol

Synonymous chemical names:
(z)-β-curcumen-12-ol

External chemical identifiers:
CID:91710638

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Chemical structure information

SMILES:
C[C@@H](C1=CCC(=CC1)C)CC/C=C(CO)/C

InChI:
InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,10,14,16H,4,6,8-9,11H2,1-3H3/b13-5-/t14-/m1/s1

InChIKey:
ZHWZEHFYKZGQFR-MECSIWFOSA-N

DeepSMILES:
C[C@@H]C=CCC=CC6))C)))))CC/C=CCO))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC=CC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: 3.237

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Chemical structure download