Summary

IMPPAT Phytochemical identifier: IMPHY009732

Phytochemical name: cis-Carvotanacetol

Synonymous chemical names:
cis-carvotanacetol

External chemical identifiers:
CID:12233170, ZINC:ZINC000003070139, SureChEMBL:SCHEMBL18783492

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Chemical structure information

SMILES:
CC([C@H]1CC=C([C@H](C1)O)C)C

InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9-11H,5-6H2,1-3H3/t9-,10-/m0/s1

InChIKey:
FZXLDENMTYEVAD-UWVGGRQHSA-N

DeepSMILES:
CC[C@H]CC=C[C@H]C6)O))C)))))C

Functional groups:
CC=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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.327

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Chemical structure download