Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 51333
- Core Entity Id
- 94344
- Source Entity Count
- 1
- Preferred Name
- 3,5-Dimethyl-4-Methoxybenzoic Acid
- Name En
- Pubchem Id
- 88944
- Smiles Canonical
- CC1=CC(=CC(=C1OC)C)C(=O)O
- Molecular Formula
- C10H12O3
- Molecular Weight
- 180.0800
- Inchikey
- WXVQURJGDUNJCS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.1000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5-Dimethyl-4-Methoxybenzoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,5-Dimethyl-4-methoxybenzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,5-Dimethyl-4-methoxybenzoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
尖叶番泻叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAN YE FAN XIE YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sharpleaf Senna Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
尖叶番泻叶JIAN YE FAN XIE YESharpleaf Senna Leaf
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN038376
Etcm Ingredient
3,5-Dimethyl-4-methoxybenzoic acid
Itcmdb Generated
ITX-INGREDIENT-60D12E0B24C3ITX-INGREDIENT-CB035F876C48
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Tcm Name
尖叶番泻叶
Tcm Name2
JIAN YE FAN XIE YE
Mol2 Path
/TCM_database/2007_3d_all/06368.mol2
Reference
6, 660
Tcm Name En
Sharpleaf Senna Leaf
Molecular Weight
180.080
Molecular Formula
C10H12O3
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.757