IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Germichrysone
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY007433
Phytochemical name:
Germichrysone
Synonymous chemical names:
germichrysone
External chemical identifiers:
CID:90474067
,
ZINC:ZINC000015256018
Chemical structure information
SMILES:
O[C@H]1CC(=O)c2c(C1)cc1c(c2O)c(O)cc(c1)C
InChI:
InChI=1S/C15H14O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-4,10,16-17,19H,5-6H2,1H3/t10-/m1/s1
InChIKey:
JNQGXIWEBUFDSA-SNVBAGLBSA-N
DeepSMILES:
O[C@H]CC=O)ccC6)cccc6O))cO)ccc6)C
Functional groups:
CO, cC(C)=O, cO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCCc2cc3ccccc3cc21
Scaffold Graph/Node level:
OC1CCCC2CC3CCCCC3CC12
Scaffold Graph level:
CC1CCCC2CC3CCCCC3CC12
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Benzenoids
ClassyFire Class:
Anthracenes
NP Classifier Biosynthetic pathway:
Polyketides
NP Classifier Superclass:
Naphthalenes
NP-Likeness score:
1.9
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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