Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 18Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3509
- Core Entity Id
- 7086
- Source Entity Count
- 1
- Preferred Name
- (+)-3,5,7,3',5'-pentahydroxyflavanone
- Name En
- Pubchem Id
- 25073455
- Smiles Canonical
- C1=C(C=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
- Molecular Formula
- C15H12O7
- Molecular Weight
- 304.2540
- Inchikey
- SRHDEHLQIMAWNV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O7/c16-7-1-6(2-8(17)3-7)15-14(21)13(20)12-10(19)4-9(18)5-11(12)22-15/h1-5,14-19,21H
- Isomeric Smiles
- C1=C(C=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1863
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-3,5,7,3',5'-Pentahydroxyflavanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(+)-3,5,7,3',5'-Pentahydroxyflavanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(+)-3,5,7,3',5'-Pentahydroxyflavanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-3,5,7,3',5'-pentahydroxyflavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-3,5,7,3',5'-pentahydroxyflavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-3,5,7,3',5'-pentahydroxyflavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
SCHEMBL15545301
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15545301
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL15545301
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007568
Tcmid
16834
Sym Map
SMIT19614
Pub Chem
25073455
Tcmbank
TCMBANKIN044119
Etcm Ingredient
(+)-3,5,7,3',5'-Pentahydroxyflavanone
Itcmdb Generated
ITX-INGREDIENT-C0EAC7713EBEITX-INGREDIENT-D47C86D59D77
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O7/c16-7-1-6(2-8(17)3-7)15-14(21)13(20)12-10(19)4-9(18)5-11(12)22-15/h1-5,14-19,21H
Mol Wt
304.254
Smiles
C1=C(C=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Mol Log P
1.1863
Version
v2
In Ch Ikey
SRHDEHLQIMAWNV-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/16847.mol2
Reference
391
Num Hdonors
5
Drug Likeness
0.535
Num Hacceptors
7
Isomeric Smiles
C1=C(C=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Canonical Smiles
C1=C(C=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Herb Alias Names
SCHEMBL15545301
Molecular Weight
304.060
Molecular Weight
304.25 g/mol
Molecular Formula
C15H12O7
Molecular Formula
C15H12O7
Molecular Formula
C15H12O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.923
Quantitative Estimate Of Drug Likeness（Qed）
0.536