Relationship Network
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6554
- Core Entity Id
- 10463
- Source Entity Count
- 1
- Preferred Name
- 5,6,7,5-tetramethoxy-3,4-methylenedioxy-flavone
- Name En
- Pubchem Id
- 184922
- Smiles Canonical
- COC1=CC(=CC2=C1OCO2)C3=CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC
- Molecular Formula
- C20H18O8
- Molecular Weight
- 386.3560
- Inchikey
- VHHQKEHGTLSRCV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H18O8/c1-22-14-5-10(6-16-18(14)27-9-26-16)12-7-11(21)17-13(28-12)8-15(23-2)19(24-3)20(17)25-4/h5-8H,9H2,1-4H3
- Isomeric Smiles
- COC1=CC(=CC2=C1OCO2)C3=CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.2231
- Num H Donors
- 0
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6610
- Polar Surface Area
- 81.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,6,7,5'-tetramethoxy-3',4'-methylenedioxy-flavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,6,7,5'-tetramethoxy-3',4'-methylenedioxy-flavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,6,7,5- tetramethoxy-3,4-methylenedioxy-flavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
龙须藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LONG XU TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Champion Bauhinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7,5'-tetramethoxy-3',4'-methylenedioxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7,5'-tetramethoxy-3',4'-methylenedioxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7-Trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7-Trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7-Trimethoxy-2-(7-methoxybenzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7-Trimethoxy-2-(7-methoxybenzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
89029-10-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
89029-10-7
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60237491
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60237491
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12111276
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12111276
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,6,7,5'-tetramethoxy-3',4'-methylenedioxy-flavone5,6,7,5- tetramethoxy-3,4-methylenedioxy-flavone龙须藤LONG XU TENGChampion Bauhinia5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone5,6,7,5'-tetramethoxy-3',4'-methylenedioxyflavone5,6,7-Trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one5,6,7-Trimethoxy-2-(7-methoxybenzo[d][1,3]dioxol-5-yl)-4H-chromen-4-one89029-10-7DTXSID60237491LMPK12111276
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011095HBIN011096
Tcmid
2117242523
Pub Chem
184922
Tcmbank
TCMBANKIN011493TCMBANKIN020810TCMBANKIN022140
Itcmdb Generated
ITX-INGREDIENT-D8E92F5A468A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H18O8/c1-22-14-5-10(6-16-18(14)27-9-26-16)12-7-11(21)17-13(28-12)8-15(23-2)19(24-3)20(17)25-4/h5-8H,9H2,1-4H3
Mol Wt
386.3560000000001
Smiles
COC1=CC(=CC2=C1OCO2)C3=CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC
Mol Log P
3.223100000000001
In Ch Ikey
VHHQKEHGTLSRCV-UHFFFAOYSA-N
Tcm Name
龙须藤
Tcm Name2
LONG XU TENG
Mol2 Path
/TCM_database/2007_3d_all/21188.mol2
Reference
4548
Num Hdonors
0
Tcm Name En
Champion Bauhinia
Drug Likeness
0.661
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC2=C1OCO2)C3=CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC
Canonical Smiles
COC1=CC(=CC2=C1OCO2)C3=CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC
Molecular Weight
386.4 g/mol
Molecular Formula
C20H18O8
Molecular Formula
C20H18O8
Num Rotatable Bonds
5