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IMPPAT Phytochemical information:
Dihydronorwogonin
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY003433
Phytochemical name:
Dihydronorwogonin
Synonymous chemical names:
dihydronorwogonin
External chemical identifiers:
CID:42608113
Chemical structure information
SMILES:
Oc1cc(O)c2c(c1O)OC(CC2=O)c1ccccc1
InChI:
InChI=1S/C15H12O5/c16-9-6-11(18)14(19)15-13(9)10(17)7-12(20-15)8-4-2-1-3-5-8/h1-6,12,16,18-19H,7H2
InChIKey:
DWNSJXRFYCRZQD-UHFFFAOYSA-N
DeepSMILES:
OcccO)ccc6O))OCCC6=O)))cccccc6
Functional groups:
cC(C)=O, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21
Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12
Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Phenylpropanoids and polyketides
ClassyFire Class:
Flavonoids
ClassyFire Subclass:
Flavans
NP Classifier Biosynthetic pathway:
Shikimates and Phenylpropanoids
NP Classifier Superclass:
Flavonoids
NP Classifier Class:
Flavanones
NP-Likeness score:
1.73
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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