Literature

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Depositor: KEGG
External ID: C09762

Molecular Weight	256.25338 [g/mol]
Molecular Formula	C15H12O4
XLogP3-AA	2.2
H-Bond Donor	2
H-Bond Acceptor	4
Rotatable Bond Count	1
Tautomer Count	18
Exact Mass	256.073559
MonoIsotopic Mass	256.073559
Topological Polar Surface Area	66.8
Heavy Atom Count	19
Formal Charge	0
Complexity	335
Isotope Atom Count	0
Defined Atom StereoCenter Count	1
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

IUPAC Name: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Canonical SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
Isomeric SMILES: C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)
19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
InChIKey: FURUXTVZLHCCNA-AWEZNQCLSA-N

SID 11950   
CID 114829   
Related Substances:

Similar Substances: 13234 Links

CAS: 578-86-9
KNApSAcK: C00000977
PDB-CCD: DFV
3DMET: B03260
Is a reactant or product of enzyme EC 1.14.11.9
Is a reactant or product of enzyme EC 1.14.13.21
Is a reactant or product of enzyme EC 1.14.13.86
Is a reactant or product of enzyme EC 1.14.13.87
Is a reactant or product of enzyme EC 5.5.1.6