IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
L-Mannose, 6-deoxy-3-O-methyl-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY011260
Phytochemical name:
L-Mannose, 6-deoxy-3-O-methyl-
Synonymous chemical names:
3-o-methyl-l-rhamnose
External chemical identifiers:
CID:193383
,
FDASRS:4P74XK2UWD
Chemical structure information
SMILES:
O=C[C@@H]([C@@H]([C@H]([C@@H](O)C)O)OC)O
InChI:
InChI=1S/C7H14O5/c1-4(9)6(11)7(12-2)5(10)3-8/h3-7,9-11H,1-2H3/t4-,5-,6-,7-/m0/s1
InChIKey:
MPQBLCRFUYGBHE-AXMZGBSTSA-N
DeepSMILES:
O=C[C@@H][C@@H][C@H][C@@H]O)C))O))OC)))O
Functional groups:
CC=O, CO, COC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Carbonyl compounds
NP Classifier Biosynthetic pathway:
Carbohydrates
NP Classifier Superclass:
Saccharides
NP Classifier Class:
Monosaccharides
NP-Likeness score:
1.842
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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