Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 50875
- Core Entity Id
- 93886
- Source Entity Count
- 1
- Preferred Name
- 3,5-Dihydroxy-4-methoxybenzoic acid
- Name En
- Pubchem Id
- 78016
- Smiles Canonical
- COC1=C(C=C(C=C1O)C(=O)O)O
- Molecular Formula
- C8H8O5
- Molecular Weight
- 184.0400
- Inchikey
- UBXDWYFLYYJQFR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 87.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5-Dihydroxy-4-methoxy-benzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,5-Dihydroxy-4-methoxybenzoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
滇南红厚壳
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DIAN NAN HONG HOU KE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
S. Yunnan Beautyleaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,5-Dihydroxy-4-methoxy-benzoic acid滇南红厚壳DIAN NAN HONG HOU KES. Yunnan Beautyleaf
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN036108
Etcm Ingredient
3,5-Dihydroxy-4-methoxy-benzoic acid
Itcmdb Generated
ITX-INGREDIENT-4D180731071EITX-INGREDIENT-8B1BBD9B321B
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
滇南红厚壳
Tcm Name2
DIAN NAN HONG HOU KE
Mol2 Path
/TCM_database/2007_3d_all/05963.mol2
Reference
4767
Tcm Name En
S. Yunnan Beautyleaf
Molecular Weight
184.040
Molecular Formula
C8H8O5
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.632