Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6565
- Core Entity Id
- 10475
- Source Entity Count
- 1
- Preferred Name
- 5,6,7,8-tetramethoxyflavone
- Name En
- Pubchem Id
- 122876
- Smiles Canonical
- COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)OC)OC)OC
- Molecular Formula
- C19H18O6
- Molecular Weight
- 342.3470
- Inchikey
- HLBQIAYRCJIRCQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H18O6/c1-21-15-14-12(20)10-13(11-8-6-5-7-9-11)25-16(14)18(23-3)19(24-4)17(15)22-2/h5-10H,1-4H3
- Isomeric Smiles
- COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=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
5,6,7,8-tetramethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,6,7,8-tetramethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,6,7,8-tetramethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3162-43-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
3162-43-4
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8-Tetramethoxy-2-phenyl-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7,8-Tetramethoxy-2-phenyl-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8-tetramethoxy-2-phenylchromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,8-tetramethoxy-2-phenylchromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID30107995
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID30107995
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60185504
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60185504
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12111434
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12111434
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3162-43-44H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-phenyl-5,6,7,8-Tetramethoxy-2-phenyl-4H-chromen-4-one5,6,7,8-tetramethoxy-2-phenylchromen-4-oneDTXCID30107995DTXSID60185504LMPK12111434
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011109
Npass
NPC241317
Tcmid
40706
Pub Chem
122876
Tcmbank
TCMBANKIN002688
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H18O6/c1-21-15-14-12(20)10-13(11-8-6-5-7-9-11)25-16(14)18(23-3)19(24-4)17(15)22-2/h5-10H,1-4H3
Mol Wt
342.3470000000002
Smiles
COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)OC)OC)OC
Mol Log P
3.494400000000003
In Ch Ikey
HLBQIAYRCJIRCQ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.707
Num Hacceptors
6
Isomeric Smiles
COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)OC)OC)OC
Canonical Smiles
COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3)OC)OC)OC
Herb Alias Names
3162-43-44H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-phenyl-DTXSID601855045,6,7,8-Tetramethoxy-2-phenyl-4H-chromen-4-one5,6,7,8-tetramethoxy-2-phenylchromen-4-oneDTXCID30107995LMPK12111434
Molecular Weight
342.3 g/mol
Molecular Formula
C19H18O6
Molecular Formula
C19H18O6
Num Rotatable Bonds
5