General Information of the Compound
Compound ID
CP0040806
Compound Name
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
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Synonyms
(-)-hesperetin
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
(S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone
(S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
3',5,7-Trihydroxy-4'-methoxyflavanone
3',5,7-Trihydroxy-4-methoxyflavanone
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-(9CI)
5,7,3'-Trihydroxy-4'-methoxyflavanone
Cyanidanon 4'-methyl ether 1626
Flavanone, 3',5,7-trihydroxy-4'-methoxy-(VAN)
Flavanone, 3',5,7-trihydroxy-4'-methoxy-(VAN) (8CI)
Hesperetin
Hesperin
Hesperitin
TNP00238
YSO2
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Structure
Formula
C16H14O6
Molecular Weight
302.282
Canonical SMILES
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
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InChI
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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InChIKey
AIONOLUJZLIMTK-AWEZNQCLSA-N
CAS
520-33-2
Physicochemical Property
logP
2.5185
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
96.22
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 72281
SID: 16889621
ChEMBL ID
CHEMBL399121
DrugBank ID
DB01094
Clinical Information about the Compound
Drug 1 ( Hesperetin )
Drug Name Hesperetin
Indication
High blood cholesterol level
Approved
Target(s)
Diacylglycerol acyltransferase 1 (DGAT1)
 Target Info 
Inhibitor