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
- 6473
- Core Entity Id
- 10373
- Source Entity Count
- 1
- Preferred Name
- 5,3',5'-trihydroxy-3,7,4'-trimethoxyflavone
- Name En
- Pubchem Id
- 5491412
- Smiles Canonical
- COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)O)OC)O)O
- Molecular Formula
- C18H16O8
- Molecular Weight
- 360.3180
- Inchikey
- XWQRPAOBLCGIRQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O8/c1-23-9-6-10(19)14-13(7-9)26-16(18(25-3)15(14)22)8-4-11(20)17(24-2)12(21)5-8/h4-7,19-21H,1-3H3
- Isomeric Smiles
- COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)O)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6026
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,3',5'-trihydroxy-3,7,4'-trimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,3',5'-trihydroxy-3,7,4'-trimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,3',5'-trihydroxy-3,7,4'-trimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
15868-40-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
15868-40-3
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00166493
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00166493
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavone, 3'5,5'-trihydroxy-3,4',7-trimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavone, 3'5,5'-trihydroxy-3,4',7-trimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112790
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112790
Role
alias
Source
itcmdb_public
Preferred
No
Name
Myricetin 3,7,4'-trimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Myricetin 3,7,4'-trimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
15868-40-3DTXSID00166493Flavone, 3'5,5'-trihydroxy-3,4',7-trimethoxy-LMPK12112790Myricetin 3,7,4'-trimethyl ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011001
Npass
NPC93080
Tcmid
41043
Pub Chem
5491412
Tcmbank
TCMBANKIN005315
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O8/c1-23-9-6-10(19)14-13(7-9)26-16(18(25-3)15(14)22)8-4-11(20)17(24-2)12(21)5-8/h4-7,19-21H,1-3H3
Mol Wt
360.318
Smiles
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)O)OC)O)O
Mol Log P
2.602600000000002
In Ch Ikey
XWQRPAOBLCGIRQ-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.65
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)O)OC)O)O
Canonical Smiles
COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC(=C(C(=C3)O)OC)O)O
Herb Alias Names
Myricetin 3,7,4'-trimethyl ether15868-40-3Flavone, 3'5,5'-trihydroxy-3,4',7-trimethoxy-DTXSID00166493LMPK12112790
Molecular Weight
360.3 g/mol
Molecular Formula
C18H16O8
Molecular Formula
C18H16O8
Num Rotatable Bonds
4