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
- 52059
- Core Entity Id
- 95070
- Source Entity Count
- 1
- Preferred Name
- Benzyl 2,6-Dimethoxybenzoate
- Name En
- Pubchem Id
- 370912
- Smiles Canonical
- COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC=CC=C2
- Molecular Formula
- C16H16O4
- Molecular Weight
- 272.1000
- Inchikey
- PKIYLOACOOWBCU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O4/c1-18-13-9-6-10-14(19-2)15(13)16(17)20-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 44.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Benzyl 2,6-Dimethoxybenzoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Benzyl 2,6-dimethoxybenzoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Benzyl 2,6-dimethoxybenzoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
极美云实
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI MEI YUN SHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Prettiest Caesalpinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
极美云实JI MEI YUN SHIPrettiest Caesalpinia
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT22571
Tcmbank
TCMBANKIN043068
Etcm Ingredient
Benzyl 2,6-dimethoxybenzoate
Itcmdb Generated
ITX-INGREDIENT-3BB75D59A739ITX-INGREDIENT-B50A10F016A2ITX-INGREDIENT-E40797F4213D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Tcm Name
极美云实
Tcm Name2
JI MEI YUN SHI
Mol2 Path
/TCM_database/2007_3d_all/02283.mol2
Reference
660, 4639
Tcm Name En
Prettiest Caesalpinia
Molecular Weight
272.100
Molecular Formula
C16H16O4
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.785