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Herb: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3304
- Core Entity Id
- 6858
- Source Entity Count
- 1
- Preferred Name
- 3',4',7-trihydroxyflavanone
- Name En
- Pubchem Id
- 3496769
- Smiles Canonical
- C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
- Molecular Formula
- C15H12O5
- Molecular Weight
- 272.2560
- Inchikey
- MJBPUQUGJNAPAZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2
- Isomeric Smiles
- C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5099
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3',4',7-Trihydroxyflavanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3',4',7-Trihydroxyflavanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3',4',7-trihydroxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3',4',7-trihydroxyflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3',4',7-trihydroxyflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(3,4-Dihydroxyphenyl)-7-hydroxychroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-Dihydroxyphenyl)-7-hydroxychroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
21913-99-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
21913-99-5
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_000269
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_000269
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:183341
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:183341
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3401430
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3401430
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N6020B
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N6020B
Role
alias
Source
itcmdb_public
Preferred
No
Name
MEGxp0_000004
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_000004
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5504140
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5504140
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3,4-Dihydroxyphenyl)-7-hydroxychroman-4-one2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one21913-99-5ACon1_000269CHEBI:183341CHEMBL3401430HY-N6020BMEGxp0_000004SCHEMBL5504140
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007320
Npass
NPC183959
Tcmid
40901
Sym Map
SMIT20888
Pub Chem
3496769
Tcmbank
TCMBANKIN013643
Itcmdb Generated
ITX-INGREDIENT-EB80237E8F0D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2
Mol Wt
272.256
Smiles
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
Mol Log P
2.509900000000002
Version
v2
In Ch Ikey
MJBPUQUGJNAPAZ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.694
Num Hacceptors
5
Isomeric Smiles
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
Canonical Smiles
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
Herb Alias Names
21913-99-52-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one2-(3,4-Dihydroxyphenyl)-7-hydroxychroman-4-oneMEGxp0_000004SCHEMBL5504140CHEMBL3401430ACon1_000269HY-N6020BCHEBI:183341
Molecular Weight
272.25 g/mol
Molecular Formula
C15H12O5
Molecular Formula
C15H12O5
Num Rotatable Bonds
1