IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Bornyl formate
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY009763
Phytochemical name:
Bornyl formate
Synonymous chemical names:
bornyl formate
External chemical identifiers:
CID:518472
,
SureChEMBL:SCHEMBL309630
Chemical structure information
SMILES:
O=COC1CC2C(C1(C)CC2)(C)C
InChI:
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3
InChIKey:
RDWUNORUTVEHJF-UHFFFAOYSA-N
DeepSMILES:
O=COCCCCC5C)CC5)))C)C
Functional groups:
COC=O
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:
Monoterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Monoterpenoids
NP Classifier Class:
Camphane monoterpenoids
NP-Likeness score:
2.346
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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