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
- 20978
- Core Entity Id
- 26502
- Source Entity Count
- 1
- Preferred Name
- Haginin d
- Name En
- Pubchem Id
- 14077819
- Smiles Canonical
- C1C(=CC2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O
- Molecular Formula
- C15H12O4
- Molecular Weight
- 256.2570
- Inchikey
- IHOXLUDKLLDPHW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-7,16-18H,8H2
- Isomeric Smiles
- C1C(=CC2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7364
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Haginin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Haginin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
haginin d
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-(7-hydroxy-2H-chromen-3-yl)benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(7-hydroxy-2H-chromen-3-yl)benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
7,2',4'-Trihydroxyisoflavene
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,2',4'-Trihydroxyisoflavene
Role
alias
Source
HERB_v2
Preferred
No
Name
79852-13-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
79852-13-4
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12080062
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12080062
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4320833
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4320833
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-(7-hydroxy-2H-chromen-3-yl)benzene-1,3-diol7,2',4'-Trihydroxyisoflavene79852-13-4LMPK12080062SCHEMBL4320833
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028738
Npass
NPC275804
Tcmid
9188
Pub Chem
14077819
Tcmbank
TCMBANKIN045457
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-7,16-18H,8H2
Mol Wt
256.257
Smiles
C1C(=CC2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O
Mol Log P
2.736400000000001
In Ch Ikey
IHOXLUDKLLDPHW-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/09189.mol2
Reference
2356
Num Hdonors
3
Drug Likeness
0.733
Num Hacceptors
4
Isomeric Smiles
C1C(=CC2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O
Canonical Smiles
C1C(=CC2=C(O1)C=C(C=C2)O)C3=C(C=C(C=C3)O)O
Herb Alias Names
7,2',4'-TrihydroxyisoflaveneSCHEMBL4320833LMPK1208006279852-13-44-(7-hydroxy-2H-chromen-3-yl)benzene-1,3-diol
Molecular Weight
256.25 g/mol
Molecular Formula
C15H12O4
Molecular Formula
C15H12O4
Num Rotatable Bonds
1