Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 51401
- Core Entity Id
- 94412
- Source Entity Count
- 1
- Preferred Name
- Methyl Paraben
- Name En
- Pubchem Id
- 7456
- Smiles Canonical
- COC(=O)C1=CC=C(C=C1)O
- Molecular Formula
- C8H8O3
- Molecular Weight
- 152.1500
- Inchikey
- LXCFILQKKLGQFO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.0000
- 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
Methyl Paraben
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methylparaben
Role
preferred
Source
TCMBank
Preferred
Yes
Name
开口箭
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KAI KOU JIAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Tupistra
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Methylparaben开口箭KAI KOU JIANChinese Tupistra
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25399
Tcmbank
TCMBANKIN038807
Itcmdb Generated
ITX-INGREDIENT-51A8AD392B14ITX-INGREDIENT-D15D3C38A8E3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Tcm Name
开口箭
Tcm Name2
KAI KOU JIAN
Mol2 Path
/TCM_database/2007_3d_all/14652.mol2
Reference
4233, 4488, 4502, 4653, 4676, 472
Tcm Name En
Chinese Tupistra