Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005453

Phytochemical name: gamma-Camphorene

Synonymous chemical names:
m-camphorene, camphorene

External chemical identifiers:
CID:CID_5315649, SureChEMBL:SCHEMBL11075112

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Chemical structure information

SMILES:
CC(=CCCC1=CCCC(C1)C(=C)CCC=C(C)C)C

InChI:
InChI=1S/C20H32/c1-16(2)9-6-11-18(5)20-14-8-13-19(15-20)12-7-10-17(3)4/h9-10,13,20H,5-8,11-12,14-15H2,1-4H3

InChIKey:
OIRFZVJHADZVMD-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC=CCCCC6)C=C)CCC=CC)C))))))))))))))C

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

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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: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 2.057

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Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT