Summary

IMPPAT Phytochemical identifier: IMPHY015801

Phytochemical name: Longipinocarvone

Synonymous chemical names:
longipinocarvone, longipinocarvoneb

External chemical identifiers:
CID:535296

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Chemical structure information

SMILES:
O=C1CC2C3C(C1=C)C2(C)CCCC3(C)C

InChI:
InChI=1S/C15H22O/c1-9-11(16)8-10-13-12(9)15(10,4)7-5-6-14(13,2)3/h10,12-13H,1,5-8H2,2-4H3

InChIKey:
MIJOZYYZCMBCHF-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC6=C))C4C)CCCC7C)C

Functional groups:
C=C(C)C(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)CC2C3CCCCC2C13

Scaffold Graph/Node level:
CC1C(O)CC2C3CCCCC2C13

Scaffold Graph level:
CC1CC2C3CCCCC2C3C1C

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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: Sesquiterpenoids

NP Classifier Class: Longipinane sesquiterpenoids

NP-Likeness score: 2.979

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Chemical structure download