IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
14-Methyltritriacont-14-en-15-ol
Summary
Physicochemical
Drug-likeness
ADME
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPPAT3_PHYID017903
Phytochemical name:
14-Methyltritriacont-14-en-15-ol
Synonymous chemical names:
14-Methyltritriacont-14-en-15-ol
External chemical identifiers:
CID:CID_163193753
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCC(=C(CCCCCCCCCCCCC)C)O
InChI:
InChI=1S/C34H68O/c1-4-6-8-10-12-14-16-17-18-19-20-22-24-26-28-30-32-34(35)33(3)31-29-27-25-23-21-15-13-11-9-7-5-2/h35H,4-32H2,1-3H3
InChIKey:
FUEOUDDPJZETFT-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCC=CCCCCCCCCCCCCC)))))))))))))C))O
Functional groups:
CC(C)=C(C)O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Enols
NP Classifier Biosynthetic pathway:
Fatty acids
NP-Likeness score:
0.206
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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