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
- 28740
- Core Entity Id
- 35131
- Source Entity Count
- 1
- Preferred Name
- Osbeckicacid
- Name En
- Pubchem Id
- 13965143
- Smiles Canonical
- C1=C(OC(=C1)C(=O)O)C(C(=O)O)O
- Molecular Formula
- C7H6O6
- Molecular Weight
- 186.1190
- Inchikey
- UAFTYLJFMASQBP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H6O6/c8-5(7(11)12)3-1-2-4(13-3)6(9)10/h1-2,5,8H,(H,9,10)(H,11,12)
- Isomeric Smiles
- C1=C(OC(=C1)C(=O)O)C(C(=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.0958
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Osbeckic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Osbeckicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Osbeckicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
金锦香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIN JIN XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Osbeckia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2S-hydroxy-2-(5-carboxy-2-furyl)acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2S-hydroxy-2-(5-carboxy-2-furyl)acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[carboxy(hydroxy)methyl]furan-2-carboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[carboxy(hydroxy)methyl]furan-2-carboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Osbeckic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Osbeckic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Osbeckic acid金锦香JIN JIN XIANGChinese Osbeckia2S-hydroxy-2-(5-carboxy-2-furyl)acetic acid5-[carboxy(hydroxy)methyl]furan-2-carboxylic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038370
Tcmid
16239
Pub Chem
13965143
Tcmbank
TCMBANKIN019411TCMBANKIN029208
Itcmdb Generated
ITX-INGREDIENT-400717BEC5E0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H6O6/c8-5(7(11)12)3-1-2-4(13-3)6(9)10/h1-2,5,8H,(H,9,10)(H,11,12)
Mol Wt
186.119
Smiles
C1=C(OC(=C1)C(=O)O)C(C(=O)O)O
Mol Log P
0.09580000000000005
In Ch Ikey
UAFTYLJFMASQBP-UHFFFAOYSA-N
Tcm Name
金锦香
Tcm Name2
JIN JIN XIANG
Mol2 Path
/TCM_database/2007_3d_all/16250.mol2
Reference
2857
Num Hdonors
3
Tcm Name En
Chinese Osbeckia
Drug Likeness
0.617
Num Hacceptors
4
Isomeric Smiles
C1=C(OC(=C1)C(=O)O)C(C(=O)O)O
Canonical Smiles
C1=C(OC(=C1)C(=O)O)C(C(=O)O)O
Herb Alias Names
5-[carboxy(hydroxy)methyl]furan-2-carboxylic acidOsbeckic acid2S-hydroxy-2-(5-carboxy-2-furyl)acetic acid
Molecular Weight
186.12 g/mol
Molecular Formula
C7H6O6
Molecular Formula
C7H6O6
Num Rotatable Bonds
3