IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Viridifloral
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY007318
Phytochemical name:
Viridifloral
Synonymous chemical names:
viridifloral
External chemical identifiers:
CID:91747203
Chemical structure information
SMILES:
O=C[C@H]1CCC2C(C3C1CCC3C)C2(C)C
InChI:
InChI=1S/C15H24O/c1-9-4-6-11-10(8-16)5-7-12-14(13(9)11)15(12,2)3/h8-14H,4-7H2,1-3H3/t9?,10-,11?,12?,13?,14?/m1/s1
InChIKey:
IAXCQXJSJZSKES-CCDBMKQKSA-N
DeepSMILES:
O=C[C@H]CCCCCC7CCC5C))))))C3C)C
Functional groups:
CC=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CC2CCCC2C2CC2C1
Scaffold Graph/Node level:
C1CC2CCCC2C2CC2C1
Scaffold Graph level:
C1CC2CCCC2C2CC2C1
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:
Aromadendrane sesquiterpenoids
NP-Likeness score:
2.839
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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