IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
D-Olivose
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY010292
Phytochemical name:
D-Olivose
Synonymous chemical names:
d-canarose
External chemical identifiers:
CID:10888063
,
ChEBI:139377
,
SureChEMBL:SCHEMBL9542066
Chemical structure information
SMILES:
OC1C[C@@H](O)[C@@H]([C@H](O1)C)O
InChI:
InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5?,6-/m1/s1
InChIKey:
FDWRIIDFYSUTDP-DUVQVXGLSA-N
DeepSMILES:
OCC[C@@H]O)[C@@H][C@H]O6)C))O
Functional groups:
CC(O)OC, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCOCC1
Scaffold Graph/Node level:
C1CCOCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway:
Carbohydrates
NP Classifier Superclass:
Saccharides
NP Classifier Class:
Monosaccharides
NP-Likeness score:
2.831
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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