Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4478
- Core Entity Id
- 8167
- Source Entity Count
- 1
- Preferred Name
- 3'-hydroxy-4',5'-dimethoxyflavone
- Name En
- Pubchem Id
- 25189612
- Smiles Canonical
- COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=CC=CC=C3O2
- Molecular Formula
- C17H14O5
- Molecular Weight
- 298.2940
- Inchikey
- BXZGAEJNHQEGIY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O5/c1-20-16-8-10(7-13(19)17(16)21-2)15-9-12(18)11-5-3-4-6-14(11)22-15/h3-9,19H,1-2H3
- Isomeric Smiles
- COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=CC=CC=C3O2
- Cas Id
- Ob Score
- Mol Logp
- 3.1828
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3'-Hydroxy-4',5'-dimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3'-hydroxy-4',5'-dimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3'-hydroxy-4',5'-dimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
黄花九轮草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG HUA JIU LUN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Officinal Primrose*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
857859-76-8
Role
alias
Source
HERB_v2
Preferred
No
Name
857859-76-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:193351
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:193351
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄花九轮草HUANG HUA JIU LUN CAOOfficinal Primrose*2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-chromen-4-one2-(3-hydroxy-4,5-dimethoxyphenyl)chromen-4-one857859-76-8CHEBI:193351
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008655
Tcmid
10022
Pub Chem
25189612
Tcmbank
TCMBANKIN048818
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O5/c1-20-16-8-10(7-13(19)17(16)21-2)15-9-12(18)11-5-3-4-6-14(11)22-15/h3-9,19H,1-2H3
Mol Wt
298.294
Mol Log P
3.182800000000001
In Ch Ikey
BXZGAEJNHQEGIY-UHFFFAOYSA-N
Tcm Name
黄花九轮草
Tcm Name2
HUANG HUA JIU LUN CAO
Mol2 Path
/TCM_database/2007_3d_all/10023.mol2
Reference
5275
Num Hdonors
1
Tcm Name En
Officinal Primrose*
Drug Likeness
0.804
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=CC=CC=C3O2
Canonical Smiles
COC1=CC(=CC(=C1OC)O)C2=CC(=O)C3=CC=CC=C3O2
Herb Alias Names
2-(3-hydroxy-4,5-dimethoxyphenyl)chromen-4-one2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-chromen-4-oneCHEBI:193351857859-76-8
Molecular Weight
298.29 g/mol
Molecular Formula
C17H14O5
Num Rotatable Bonds
3