Summary

IMPPAT Phytochemical identifier: IMPHY009987

Phytochemical name: 4-Hydroxy-beta-damascone

Synonymous chemical names:
4-hydroxy-β-damascone

External chemical identifiers:
CID:91749226

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Chemical structure information

SMILES:
C/C=C/C(=O)C1=CCC(CC1(C)C)O

InChI:
InChI=1S/C12H18O2/c1-4-5-11(14)10-7-6-9(13)8-12(10,2)3/h4-5,7,9,13H,6,8H2,1-3H3/b5-4+

InChIKey:
ZFOVDQCWKGLFBS-SNAWJCMRSA-N

DeepSMILES:
C/C=C/C=O)C=CCCCC6C)C)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Apocarotenoids (β-), Megastigmanes

NP-Likeness score: 2.002

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Chemical structure download