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: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3123
- Core Entity Id
- 6658
- Source Entity Count
- 1
- Preferred Name
- 3,3',4',7-tetramethoxyflavone
- Name En
- Pubchem Id
- 631171
- Smiles Canonical
- COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC
- Molecular Formula
- C19H18O6
- Molecular Weight
- 342.3470
- Inchikey
- NAMFTZBUZYVNST-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H18O6/c1-21-12-6-7-13-15(10-12)25-18(19(24-4)17(13)20)11-5-8-14(22-2)16(9-11)23-3/h5-10H,1-4H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.4944
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,3',4',7-tetramethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,3',4',7-tetramethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,3',4',7-tetramethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
17093-86-6
Role
alias
Source
HERB_v2
Preferred
No
Name
17093-86-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-Dimethoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-Dimethoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-Dimethoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-Dimethoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3',4',7-Tetra-O-methylfisetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3',4',7-Tetra-O-methylfisetin
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fisetin tetramethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Fisetin tetramethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
MK6JUA2E4J
Role
alias
Source
HERB_v2
Preferred
No
Name
MK6JUA2E4J
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetra-O-methylfisetin
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetra-O-methylfisetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-MK6JUA2E4J
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-MK6JUA2E4J
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
17093-86-62-(3,4-Dimethoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one2-(3,4-Dimethoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one3,3',4',7-Tetra-O-methylfisetin4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-Fisetin tetramethyl etherMK6JUA2E4JTetra-O-methylfisetinUNII-MK6JUA2E4J
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007111
Npass
NPC299923
Tcmid
39122
Pub Chem
631171
Tcmbank
TCMBANKIN016899
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H18O6/c1-21-12-6-7-13-15(10-12)25-18(19(24-4)17(13)20)11-5-8-14(22-2)16(9-11)23-3/h5-10H,1-4H3
Mol Wt
342.3470000000001
Smiles
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC
Mol Log P
3.494400000000002
In Ch Ikey
NAMFTZBUZYVNST-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.707
Num Hacceptors
6
Isomeric Smiles
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC
Canonical Smiles
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OC
Herb Alias Names
Fisetin tetramethyl etherTetra-O-methylfisetinMK6JUA2E4J17093-86-6UNII-MK6JUA2E4J3,3',4',7-Tetra-O-methylfisetin4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-2-(3,4-Dimethoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one2-(3,4-Dimethoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one
Molecular Weight
342.3 g/mol
Molecular Formula
C19H18O6
Molecular Formula
C19H18O6
Num Rotatable Bonds
5