IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(Z)-Santalol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY014514
Phytochemical name:
(Z)-Santalol
Synonymous chemical names:
(z)-santalol
External chemical identifiers:
CID:91753183
Chemical structure information
SMILES:
OCCCCCC/C=CC=C/C=CC=C/C
InChI:
InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-9,16H,10-15H2,1H3/b3-2-,5-4-,7-6-,9-8-
InChIKey:
RAPKQMZFSCMPDF-FUKINOADSA-N
DeepSMILES:
OCCCCCC/C=CC=C/C=CC=C/C
Functional groups:
C/C=CC=C/C=CC=C/C, CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty alcohols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
1.718
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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