IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Campherene-2,13-diol
Summary
Physicochemical
Drug-likeness
ADME
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPPAT3_PHYID015340
Phytochemical name:
Campherene-2,13-diol
Synonymous chemical names:
campherene-2,13-diol
External chemical identifiers:
CID:CID_42608198
Chemical structure information
SMILES:
OC/C(=C\CCC1(C)C2CCC1(C)C(C2)O)/C
InChI:
InChI=1S/C15H26O2/c1-11(10-16)5-4-7-14(2)12-6-8-15(14,3)13(17)9-12/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5-
InChIKey:
FUCSWNUANQRDFQ-WZUFQYTHSA-N
DeepSMILES:
OC/C=C\CCCC)CCCC5C)CC6)O))))))))))/C
Functional groups:
CO, C/C=C(\C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CC2CCC1C2
Scaffold Graph/Node level:
C1CC2CCC1C2
Scaffold Graph level:
C1CC2CCC1C2
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Sesquiterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Sesquiterpenoids
NP Classifier Class:
Campherenane sesquiterpenoids
NP-Likeness score:
3.632
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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