Summary

IMPPAT Phytochemical identifier: IMPHY002850

Phytochemical name: Curcumol

Synonymous chemical names:
curcumol

External chemical identifiers:
CID:14240392, ChEMBL:CHEMBL4303567, ChEBI:173719, ZINC:ZINC000070466453, FDASRS:9190RTN07X, SureChEMBL:SCHEMBL22404924, MolPort-016-633-349

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Chemical structure information

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

InChI:
InChI=1S/C15H24O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12-,13-,14-,15+/m0/s1

InChIKey:
QRMPRVXWPCLVNI-YYFQZIEXSA-N

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

Functional groups:
C=C(C)C, C[C@@](C)(O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC3(CCCC13)O2

Scaffold Graph/Node level:
CC1CC2CCC3(CCCC13)O2

Scaffold Graph level:
CC1CC2CCC3(CCCC13)C2

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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: 3.477

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Chemical structure download