Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017333

Phytochemical name: (+)-3-Carene, 10-(acetylmethyl)-

Synonymous chemical names:
(+)-3-carene 10-(acetylmethyl)-, 10-(acetylmethyl)-3-carene+, (+)-3-Carene, 10-(acetylmethyl)-

External chemical identifiers:
CID:CID_561019

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Chemical structure information

SMILES:
CC(=O)CCC1=CCC2C(C1)C2(C)C

InChI:
InChI=1S/C13H20O/c1-9(14)4-5-10-6-7-11-12(8-10)13(11,2)3/h6,11-12H,4-5,7-8H2,1-3H3

InChIKey:
IGPRYTURJRKOCT-UHFFFAOYSA-N

DeepSMILES:
CC=O)CCC=CCCCC6)C3C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CC2C1

Scaffold Graph/Node level:
C1CCC2CC2C1

Scaffold Graph level:
C1CCC2CC2C1

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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: Carane monoterpenoids

NP-Likeness score: 1.954

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Chemical structure download