Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 23Links: 27
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2511
- Core Entity Id
- 5978
- Source Entity Count
- 1
- Preferred Name
- (2r,3r)-2',3,5,7-tetrahydroxyflavanone
- Name En
- Pubchem Id
- 3082330
- Smiles Canonical
- C1=CC=C(C(=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Molecular Formula
- C15H12O6
- Molecular Weight
- 288.2550
- Inchikey
- BJNCWLSOQIVKIX-LSDHHAIUSA-N
- Inchi
- InChI=1S/C15H12O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,14-18,20H/t14-,15+/m0/s1
- Isomeric Smiles
- C1=CC=C(C(=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4807
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R,3R)-2',3,5,7-Tetrahydroxyflavanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2r,3r)-2',3,5,7-tetrahydroxyflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2r,3r)-2',3,5,7-tetrahydroxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2r,3r)-2',3,5,7-tetrahydroxyflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2R,3R)-3,5,7-trihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R)-3,5,7-trihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2r,3r)-3,5,7,2'-tetrahydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(2r,3r)-3,5,7,2'-tetrahydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2',3,5,7-Tetrahydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2',3,5,7-Tetrahydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-Trihydroxy-2-(2-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-Trihydroxy-2-(2-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
31477-95-9
Role
alias
Source
HERB_v2
Preferred
No
Name
31477-95-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(2-hydroxyphenyl)-, (2R-trans)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(2-hydroxyphenyl)-, (2R-trans)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3634564
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3634564
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00953481
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00953481
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dihydrodatiscetin
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydrodatiscetin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R)-3,5,7-trihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one(2r,3r)-3,5,7,2'-tetrahydroxyflavanone2',3,5,7-Tetrahydroxyflavanone3,5,7-Trihydroxy-2-(2-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one31477-95-94H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(2-hydroxyphenyl)-, (2R-trans)-CHEMBL3634564DTXSID00953481Dihydrodatiscetin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006396
Npass
NPC306607
Tcmid
21092
Pub Chem
3082330
Tcmbank
TCMBANKIN017629
Etcm Ingredient
(2R,3R)-2',3,5,7-Tetrahydroxyflavanone
Itcmdb Generated
ITX-INGREDIENT-F207B787F4A2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O6/c16-7-5-10(18)12-11(6-7)21-15(14(20)13(12)19)8-3-1-2-4-9(8)17/h1-6,14-18,20H/t14-,15+/m0/s1
Mol Wt
288.2549999999999
Smiles
C1=CC=C(C(=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Mol Log P
1.480700000000001
In Ch Ikey
BJNCWLSOQIVKIX-LSDHHAIUSA-N
Num Hdonors
4
Drug Likeness
0.633
Num Hacceptors
6
Isomeric Smiles
C1=CC=C(C(=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Canonical Smiles
C1=CC=C(C(=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
Herb Alias Names
2',3,5,7-TetrahydroxyflavanoneDihydrodatiscetin31477-95-9(2R,3R)-3,5,7-trihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(2-hydroxyphenyl)-, (2R-trans)-CHEMBL3634564DTXSID00953481(2r,3r)-3,5,7,2'-tetrahydroxyflavanone3,5,7-Trihydroxy-2-(2-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
Molecular Weight
286.050
Molecular Formula
C15H10O6
Molecular Formula
C15H12O6
Molecular Formula
C15H12O6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.112
Quantitative Estimate Of Drug Likeness（Qed）
0.546