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Secondary metabolite: 3,4-Dihydroxyphenylethanol
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Predicted human target proteins
Summary
Molecular formula:
C8H10O3
SMILES:
OCCc1ccc(c(c1)O)O
InChI:
InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
InChIKey:
JUUBCHWRXWPFFH-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
Kingdom:
Organic compounds
Super class:
Benzenoids
Class:
Phenols
Sub class:
Tyrosols and derivatives
Synonymous chemical names:
3,4-dihydroxyphenylethanol
External chemical identifiers:
CID_82755
;
CAS_10597-60-1
;
CHEMSPIDER_74680
;
ZINC_ZINC000002379217
;
Molport_MolPort-006-328-652
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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