IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
gamma-Amorphene
Summary
Physicochemical
Drug-likeness
ADME
Descriptors
Patents
Summary
IMPPAT Phytochemical identifier:
IMPPAT3_PHYID018171
Phytochemical name:
gamma-Amorphene
Synonymous chemical names:
gamma-Amorphene
External chemical identifiers:
CID:CID_12313019
Chemical structure information
SMILES:
CC1=C[C@H]2[C@@H](CC1)C(=C)CC[C@H]2C(C)C
InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15+/m0/s1
InChIKey:
WRHGORWNJGOVQY-SOUVJXGZSA-N
DeepSMILES:
CC=C[C@H][C@@H]CC6))C=C)CC[C@H]6CC)C
Functional groups:
C=C(C)C, CC(=CC)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CCCC2C=CCCC12
Scaffold Graph/Node level:
CC1CCCC2CCCCC12
Scaffold Graph level:
CC1CCCC2CCCCC12
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:
Cadinane sesquiterpenoids
NP-Likeness score:
3.085
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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