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Secondary metabolite: Sakuranetin
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Predicted human target proteins
Summary
Molecular formula:
C16H14O5
SMILES:
COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(cc1)O
InChI:
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
InChIKey:
DJOJDHGQRNZXQQ-AWEZNQCLSA-N
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
Kingdom:
Organic compounds
Super class:
Phenylpropanoids and polyketides
Class:
Flavonoids
Sub class:
O-methylated flavonoids
Synonymous chemical names:
sakuranetin
External chemical identifiers:
CID_73571
;
CAS_2957-21-3
;
CHEMSPIDER_308963
;
ZINC_ZINC000000338284
;
Molport_MolPort-039-052-519
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
TOP
Designed by
R.P. Vivek-Ananth
, M Karthikeyan and Ajaya Kumar Sahoo