Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018106

Phytochemical name: 8-Hydroxycarvotanacetone

Synonymous chemical names:
8-Hydroxycarvotanacetone

External chemical identifiers:
CID:CID_143717

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Chemical structure information

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

InChI:
InChI=1S/C10H16O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8,12H,5-6H2,1-3H3

InChIKey:
DJOOMNLGIUGRKD-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6=O)))CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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

NP-Likeness score: 2.37

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Chemical structure download