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
- 6641
- Core Entity Id
- 10560
- Source Entity Count
- 1
- Preferred Name
- 5,7,4'-trihydroxy-3,3',5'-trimethoxyflavone
- Name En
- Pubchem Id
- 44259712
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
- Molecular Formula
- C18H16O8
- Molecular Weight
- 360.3180
- Inchikey
- PLORYRPFPGAIDS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O8/c1-23-12-4-8(5-13(24-2)15(12)21)17-18(25-3)16(22)14-10(20)6-9(19)7-11(14)26-17/h4-7,19-21H,1-3H3
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
- 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
5,7,4'-trihydroxy-3,3',5'-trimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7,4'-trihydroxy-3,3',5'-trimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,7,4'-trihydroxy-3,3',5'-trimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3',5',3-dimethyl myricetin
Role
alias
Source
HERB_v2
Preferred
No
Name
3',5',3-dimethyl myricetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3',5'-trimethylmyricetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3',5'-trimethylmyricetin
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:146132
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:146132
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12112783
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112783
Role
alias
Source
itcmdb_public
Preferred
No
Name
Myricetin 3,3',5'-trimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Myricetin 3,3',5'-trimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3452793
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3452793
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3',5',3-dimethyl myricetin3,3',5'-trimethylmyricetin5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxy-4H-chromen-4-one5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxychromen-4-oneCHEBI:146132LMPK12112783Myricetin 3,3',5'-trimethyl etherSCHEMBL3452793
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011208
Tcmid
42252
Pub Chem
44259712
Tcmbank
TCMBANKIN030309
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O8/c1-23-12-4-8(5-13(24-2)15(12)21)17-18(25-3)16(22)14-10(20)6-9(19)7-11(14)26-17/h4-7,19-21H,1-3H3
Mol Wt
360.318
Mol Log P
2.602600000000002
In Ch Ikey
PLORYRPFPGAIDS-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.65
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
Herb Alias Names
Myricetin 3,3',5'-trimethyl ether3,3',5'-trimethylmyricetin3',5',3-dimethyl myricetinCHEBI:1461325,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxy-4H-chromen-4-one5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxy-4H-1-benzopyran-4-oneSCHEMBL3452793LMPK121127835,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxychromen-4-one
Molecular Formula
C18H16O8
Num Rotatable Bonds
4