Summary

IMPPAT Phytochemical identifier: IMPHY012254

Phytochemical name: Isopinocamphone

Synonymous chemical names:
iso-pinocamphone, isopinocamphone, isopinocamphone (cis-3-pinanone)

External chemical identifiers:
CID:84532, ChEBI:171987, FDASRS:Q366628FXX, SureChEMBL:SCHEMBL15210011

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Chemical structure information

SMILES:
O=C1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C

InChI:
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1

InChIKey:
MQPHVIPKLRXGDJ-RNJXMRFFSA-N

DeepSMILES:
O=CC[C@H]C[C@@H][C@@H]6C))C4C)C

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC(C1)C2

Scaffold Graph/Node level:
OC1CC2CC(C1)C2

Scaffold Graph level:
CC1CC2CC(C1)C2

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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: Pinane monoterpenoids

NP-Likeness score: 2.524

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Chemical structure download