Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6645
- Core Entity Id
- 10565
- Source Entity Count
- 1
- Preferred Name
- 5,7,4'-trihydroxy-3,8-dimethoxyflavone
- Name En
- Pubchem Id
- 13983738
- Smiles Canonical
- COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O
- Molecular Formula
- C17H14O7
- Molecular Weight
- 330.2920
- Inchikey
- QEXFTGWTWYZALN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O7/c1-22-15-11(20)7-10(19)12-13(21)17(23-2)14(24-16(12)15)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3
- Isomeric Smiles
- COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5940
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7,4'-Trihydroxy-3,8-dimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7,4'-trihydroxy-3,8-dimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,7,4'-trihydroxy-3,8-dimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cyanostegia angustifolia
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
3,8-Dimethylherbacetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,8-Dimethylherbacetin
Role
alias
Source
HERB_v2
Preferred
No
Name
Herbacetin 3,8-dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Herbacetin 3,8-dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12113156
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12113156
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Cyanostegia angustifolia3,8-DimethylherbacetinHerbacetin 3,8-dimethyl etherLMPK12113156
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011212
Npass
NPC70036
Tcmid
21695
Tcm Id
10639
Pub Chem
13983738
Tcmbank
TCMBANKIN038470TCMBANKIN061516
Itcmdb Generated
ITX-INGREDIENT-EF651B9B6851
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O7/c1-22-15-11(20)7-10(19)12-13(21)17(23-2)14(24-16(12)15)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3
Mol Wt
330.292
Smiles
COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O
Mol Log P
2.594000000000002
In Ch Ikey
QEXFTGWTWYZALN-UHFFFAOYSA-N
Tcm Name2
Cyanostegia angustifolia
Mol2 Path
/TCM_database/2007_3d_all/21711.mol2
Reference
1521, 3850.
Num Hdonors
3
Drug Likeness
0.677
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O
Canonical Smiles
COC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O
Herb Alias Names
3,8-DimethylherbacetinHerbacetin 3,8-dimethyl etherLMPK12113156
Molecular Weight
330.29 g/mol
Molecular Formula
C17H14O7
Molecular Formula
C17H14O7
Num Rotatable Bonds
3