Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6618
- Core Entity Id
- 10535
- Source Entity Count
- 1
- Preferred Name
- 5,7,3',4',5-pentamethoxyflavone
- Name En
- Pubchem Id
- 493376
- Smiles Canonical
- COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)OC
- Molecular Formula
- C20H20O7
- Molecular Weight
- 372.3730
- Inchikey
- GIKVSFNAEBQLGB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H20O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-10H,1-5H3
- Isomeric Smiles
- COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.5030
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7,3',4',5'-Pentamethoxyflavone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5,7,3',4',5'-Pentamethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7,3',4',5'-Pentamethoxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5,7,3',4',5'-pentamethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,7,3',4',5-pentamethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
九里香根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIU LIXIANG GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
3',4',5',5,7-Pentamethoxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3',4',5',5,7-Pentamethoxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
53350-26-8
Role
alias
Source
HERB_v2
Preferred
No
Name
53350-26-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2074901
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2074901
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricetin 5,7,3',4',5'-pentamethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Tricetin 5,7,3',4',5'-pentamethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricetin Pentamethyl Ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Tricetin Pentamethyl Ether
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,7,3',4',5'-Pentamethoxyflavone九里香根JIU LIXIANG GEN3',4',5',5,7-Pentamethoxyflavone4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one53350-26-8CHEMBL2074901Tricetin 5,7,3',4',5'-pentamethyl etherTricetin Pentamethyl Ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011176HBIN011177
Npass
NPC29536
Tcmid
1685841303
Sym Map
SMIT21634SMIT21635
Pub Chem
493376
Tcmbank
TCMBANKIN003570TCMBANKIN038414
Itcmdb Generated
ITX-INGREDIENT-56A108463D84ITX-INGREDIENT-F88625DCA6FB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H20O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-10H,1-5H3
Mol Wt
372.3730000000001
Mol Log P
3.503000000000002
Version
v2
In Ch Ikey
GIKVSFNAEBQLGB-UHFFFAOYSA-N
Suppress
0
Tcm Name
九里香根
Tcm Name2
JIU LIXIANG GEN
Mol2 Path
/TCM_database/2007_3d_all/16871.mol2
Reference
1295, 2910
Num Hdonors
0
Drug Likeness
0.655
Num Hacceptors
7
Isomeric Smiles
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)OC
Canonical Smiles
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)OC)OC
Molecular Weight
372.4 g/mol
Molecular Formula
C20H20O7
Num Rotatable Bonds
6