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Secondary metabolite: Hispidin
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C13H10O5
SMILES:
Oc1cc(/C=C/c2ccc(c(c2)O)O)oc(=O)c1
InChI:
InChI=1S/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,14-16H/b3-1+
InChIKey:
SGJNQVTUYXCBKH-HNQUOIGGSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1cccc(C=Cc2ccccc2)o1
Scaffold Graph/Node level:
OC1CCCC(CCC2CCCCC2)O1
Scaffold Graph level:
CC1CCCC(CCC2CCCCC2)C1
Chemical classification
Kingdom:
Organic compounds
Super class:
Benzenoids
Class:
Phenols
Sub class:
Benzenediols
Synonymous chemical names:
hispidin
External chemical identifiers:
CID_54685921
;
CAS_555-55-5
;
NPATLAS_NPA005684
;
CHEMSPIDER_13975015
;
ZINC_ZINC000100031035
;
Molport_MolPort-003-941-572
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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