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
- 7303
- Core Entity Id
- 11299
- Source Entity Count
- 1
- Preferred Name
- 6,3',4'-trimethoxy-7,8,5'-trihydroxyisoflavone
- Name En
- Pubchem Id
- 10872096
- Smiles Canonical
- COC1=CC(=CC(=C1OC)O)C2=COC3=C(C(=C(C=C3C2=O)OC)O)O
- Molecular Formula
- C18H16O8
- Molecular Weight
- 360.3180
- Inchikey
- ZWGRHIFFPYIQFQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O8/c1-23-12-6-9-14(20)10(7-26-17(9)16(22)15(12)21)8-4-11(19)18(25-3)13(5-8)24-2/h4-7,19,21-22H,1-3H3
- Isomeric Smiles
- COC1=CC(=CC(=C1OC)O)C2=COC3=C(C(=C(C=C3C2=O)OC)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6026
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,3',4'-Trimethoxy-7,8,5'-trihydroxyisoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,3',4'-trimethoxy-7,8,5'-trihydroxyisoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,3',4'-trimethoxy-7,8,5'-trihydroxyisoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
卷鞘鸢尾
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JUAN QIAO YUAN WEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Potanin Larkspur
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
卷鞘鸢尾JUAN QIAO YUAN WEIPotanin Larkspur
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012015
Tcmid
21920
Pub Chem
10872096
Tcmbank
TCMBANKIN037672
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O8/c1-23-12-6-9-14(20)10(7-26-17(9)16(22)15(12)21)8-4-11(19)18(25-3)13(5-8)24-2/h4-7,19,21-22H,1-3H3
Mol Wt
360.3180000000001
Mol Log P
2.602600000000001
In Ch Ikey
ZWGRHIFFPYIQFQ-UHFFFAOYSA-N
Tcm Name
卷鞘鸢尾
Tcm Name2
JUAN QIAO YUAN WEI
Mol2 Path
/TCM_database/2007_3d_all/21936.mol2
Reference
4235
Num Hdonors
3
Tcm Name En
Potanin Larkspur
Drug Likeness
0.608
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC(=C1OC)O)C2=COC3=C(C(=C(C=C3C2=O)OC)O)O
Canonical Smiles
COC1=CC(=CC(=C1OC)O)C2=COC3=C(C(=C(C=C3C2=O)OC)O)O
Molecular Formula
C18H16O8
Num Rotatable Bonds
4