Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 4Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6716
- Core Entity Id
- 10644
- Source Entity Count
- 1
- Preferred Name
- 5,7-dihydroxyflavanone
- Name En
- Pubchem Id
- 238782
- Smiles Canonical
- C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
- Molecular Formula
- C15H12O4
- Molecular Weight
- 256.2570
- Inchikey
- URFCJEUYXNAHFI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2
- Isomeric Smiles
- C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 2.8043
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5, 7- dihydroxyflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7-Dihydroxyflavanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,7-dihydroxyflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,7-dihydroxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
( inverted exclamation markA)-Pinocembrin
Role
alias
Source
HERB_v2
Preferred
No
Name
( inverted exclamation markA)-Pinocembrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+/-)-pinocembrin
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-pinocembrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-phenylchroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-phenylchroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxyflavanone
Role
alias
Source
TCMBank
Preferred
No
Name
68745-38-0
Role
alias
Source
HERB_v2
Preferred
No
Name
68745-38-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Galangin flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
Galangin flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC279005
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC279005
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pinocembrin (racemic)
Role
alias
Source
HERB_v2
Preferred
No
Name
Pinocembrin (racemic)
Role
alias
Source
itcmdb_public
Preferred
No
Name
rac-Pinocembrin
Role
alias
Source
HERB_v2
Preferred
No
Name
rac-Pinocembrin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5, 7- dihydroxyflavanone( inverted exclamation markA)-Pinocembrin(+/-)-pinocembrin5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one5,7-dihydroxy-2-phenylchroman-4-one68745-38-0Galangin flavanoneNSC279005Pinocembrin (racemic)rac-Pinocembrin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011306
Npass
NPC287246
Tcmid
407434074442406
Pub Chem
238782
Tcmbank
TCMBANKIN010234
Etcm Ingredient
5,7-Dihydroxyflavanone
Itcmdb Generated
ITX-INGREDIENT-C1C748D8606C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2
Mol Wt
256.257
Smiles
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
Mol Log P
2.804300000000002
In Ch Ikey
URFCJEUYXNAHFI-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.823
Num Hacceptors
4
Isomeric Smiles
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
Canonical Smiles
C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
Herb Alias Names
68745-38-05,7-dihydroxy-2-phenylchroman-4-one(+/-)-pinocembrinrac-PinocembrinPinocembrin (racemic)5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one( inverted exclamation markA)-PinocembrinGalangin flavanoneNSC279005
Molecular Weight
256.070
Molecular Weight
256.25 g/mol
Molecular Formula
C15H12O4
Molecular Formula
C15H12O4
Molecular Formula
C15H12O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.295
Quantitative Estimate Of Drug Likeness（Qed）
0.823