Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3456
- Core Entity Id
- 7027
- Source Entity Count
- 1
- Preferred Name
- 3',4'-methylenedi oxy-6,7-dimethoxyflavone
- Name En
- Pubchem Id
- 11131197
- Smiles Canonical
- COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC4=C(C=C3OC)OCO4
- Molecular Formula
- C18H14O6
- Molecular Weight
- 326.3040
- Inchikey
- BZEQTEZFGOLOLB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H14O6/c1-20-10-3-4-11-13(19)7-16(24-15(11)5-10)12-6-17-18(23-9-22-17)8-14(12)21-2/h3-8H,9H2,1-2H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC4=C(C=C3OC)OCO4
- Cas Id
- Ob Score
- Mol Logp
- 3.2059
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3',4'-Methylenedioxy-6,7-dimethoxyflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3',4'-Methylenedioxy-6,7-dimethoxyflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3',4'-methylenedi oxy-6,7-dimethoxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3',4'-methylenedi oxy-6,7-dimethoxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
红萼鸡血藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG E JI XUE TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Redcalyx Millettia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3',4'-Methylenedioxy-6,7-dimethoxyflavone红萼鸡血藤HONG E JI XUE TENGRedcalyx Millettia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007500
Tcmid
14356
Pub Chem
11131197
Tcmbank
TCMBANKIN015565TCMBANKIN034705
Etcm Ingredient
3',4'-Methylenedioxy-6,7-dimethoxyflavone
Itcmdb Generated
ITX-INGREDIENT-2023EA5592FBITX-INGREDIENT-7ADC25742E78
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H14O6/c1-20-10-3-4-11-13(19)7-16(24-15(11)5-10)12-6-17-18(23-9-22-17)8-14(12)21-2/h3-8H,9H2,1-2H3
Mol Wt
326.3040000000001
Smiles
COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC4=C(C=C3OC)OCO4
Mol Log P
3.205900000000002
In Ch Ikey
BZEQTEZFGOLOLB-UHFFFAOYSA-N
Tcm Name
红萼鸡血藤
Tcm Name2
HONG E JI XUE TENG
Mol2 Path
/TCM_database/2007_3d_all/14363.mol2
Reference
4624
Num Hdonors
0
Tcm Name En
Redcalyx Millettia*
Drug Likeness
0.736
Num Hacceptors
6
Isomeric Smiles
COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC4=C(C=C3OC)OCO4
Canonical Smiles
COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC4=C(C=C3OC)OCO4
Molecular Weight
326.080
Molecular Formula
C18H14O6
Molecular Formula
C18H14O6
Molecular Formula
C18H14O6
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.568
Quantitative Estimate Of Drug Likeness（Qed）
0.736