IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(Z)-beta-Ocimenol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY007445
Phytochemical name:
(Z)-beta-Ocimenol
Synonymous chemical names:
(z)-ocimenol
External chemical identifiers:
CID:91753567
Chemical structure information
SMILES:
C=C/C(=CC(C=C(C)C)O)/C
InChI:
InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-7,10-11H,1H2,2-4H3/b9-7-
InChIKey:
DUCHBDMNWUYHGL-CLFYSBASSA-N
DeepSMILES:
C=C/C=CCC=CC)C)))O)))/C
Functional groups:
C=C/C(C)=CC, CC=C(C)C, CO
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:
Acyclic monoterpenoids
NP-Likeness score:
2.097
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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