Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 10Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8090
- Core Entity Id
- 12164
- Source Entity Count
- 1
- Preferred Name
- 7,3',4'-trimethoxyisoflavone
- Name En
- Pubchem Id
- 628528
- Smiles Canonical
- COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)OC
- Molecular Formula
- C18H16O5
- Molecular Weight
- 312.3210
- Inchikey
- UKWLNMIPRJLYGH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.4858
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7,3',4'-Trimethoxyisoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,3',4'-Trimethoxyisoflavone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7,3',4'-trimethoxyisoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7,3',4'-trimethoxyisoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
广布丁公藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG BU DING GONG TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Expanse Erycibe*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1621-61-0
Role
alias
Source
HERB_v2
Preferred
No
Name
1621-61-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
3',4',7-Trimethoxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3',4',7-Trimethoxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(3,4-Dimethoxyphenyl)-7-methoxy-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(3,4-Dimethoxyphenyl)-7-methoxy-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-7-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-7-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Cabreuvin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cabreuvin
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS001048876
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS001048876
Role
alias
Source
itcmdb_public
Preferred
No
Name
TimTec1_006616
Role
alias
Source
HERB_v2
Preferred
No
Name
TimTec1_006616
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
广布丁公藤GUANG BU DING GONG TENGExpanse Erycibe*1621-61-03',4',7-Trimethoxyisoflavone3-(3,4-Dimethoxyphenyl)-7-methoxy-4H-chromen-4-one3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-7-methoxy-7-Methoxy-3-(3,4-dimethoxyphenyl)-4H-chromen-4-oneCabreuvinMLS001048876TimTec1_006616
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012907
Npass
NPC185607
Tcmid
21902
Pub Chem
628528
Tcmbank
TCMBANKIN037805
Etcm Ingredient
7,3',4'-Trimethoxyisoflavone
Itcmdb Generated
ITX-INGREDIENT-1A96EDC07D1C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3
Mol Wt
312.3210000000001
Mol Log P
3.485800000000002
In Ch Ikey
UKWLNMIPRJLYGH-UHFFFAOYSA-N
Tcm Name
广布丁公藤
Tcm Name2
GUANG BU DING GONG TENG
Mol2 Path
/TCM_database/2007_3d_all/21918.mol2
Reference
4095, 5038
Num Hdonors
0
Tcm Name En
Expanse Erycibe*
Drug Likeness
0.738
Num Hacceptors
5
Isomeric Smiles
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)OC
Canonical Smiles
COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)OC
Herb Alias Names
Cabreuvin1621-61-03',4',7-Trimethoxyisoflavone3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one3-(3,4-Dimethoxyphenyl)-7-methoxy-4H-chromen-4-one4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-7-methoxy-7-Methoxy-3-(3,4-dimethoxyphenyl)-4H-chromen-4-oneTimTec1_006616MLS001048876
Molecular Weight
312.100
Molecular Weight
312.3 g/mol
Molecular Formula
C18H16O5
Molecular Formula
C18H16O5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.235
Quantitative Estimate Of Drug Likeness（Qed）
0.738