Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12214
- Core Entity Id
- 16744
- Source Entity Count
- 1
- Preferred Name
- Benzyl 2-hydroxy-3,6-dimethoxybenzoate
- Name En
- Benzyl 2-hydroxy-3,6-dimethoxybenzoate
- Pubchem Id
- 11077057
- Smiles Canonical
- COC1=C(C(=C(C=C1)OC)O)C(=O)OCC2=CC=CC=C2
- Molecular Formula
- C16H16O5
- Molecular Weight
- 288.2990
- Inchikey
- ASQGNSYUWXVREW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O5/c1-19-12-8-9-13(20-2)15(17)14(12)16(18)21-10-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
- Isomeric Smiles
- COC1=C(C(=C(C=C1)OC)O)C(=O)OCC2=CC=CC=C2
- Cas Id
- Ob Score
- Mol Logp
- 2.7664
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Benzyl 2-hydroxy-3,6-dimethoxybenzoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Benzyl 2-hydroxy-3,6-dimethoxybenzoate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Benzyl 2-hydroxy-3,6-dimethoxybenzoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
婆罗门皂荚
Role
TCM_name
Source
TCMBank
Preferred
No
Name
PO LUO MEN ZAO JIA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Goldenshower Senna Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Benzyl 2-hydroxy-3,6-dimethoxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzyl 2-hydroxy-3,6-dimethoxybenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
婆罗门皂荚PO LUO MEN ZAO JIAGoldenshower Senna FruitBenzyl 2-hydroxy-3,6-dimethoxybenzoic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017837
Npass
NPC215660
Tcmid
2291
Pub Chem
11077057
Tcmbank
TCMBANKIN045725
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H16O5/c1-19-12-8-9-13(20-2)15(17)14(12)16(18)21-10-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
Mol Wt
288.299
Mol Log P
2.766400000000001
In Ch Ikey
ASQGNSYUWXVREW-UHFFFAOYSA-N
Tcm Name
婆罗门皂荚
Tcm Name2
PO LUO MEN ZAO JIA
Mol2 Path
/TCM_database/2007_3d_all/02291.mol2
Reference
4642
Num Hdonors
1
Tcm Name En
Goldenshower Senna Fruit
Drug Likeness
0.857
Num Hacceptors
5
Isomeric Smiles
COC1=C(C(=C(C=C1)OC)O)C(=O)OCC2=CC=CC=C2
Canonical Smiles
COC1=C(C(=C(C=C1)OC)O)C(=O)OCC2=CC=CC=C2
Herb Alias Names
Benzyl 2-hydroxy-3,6-dimethoxybenzoic acid
Molecular Weight
288.29 g/mol
Molecular Formula
C16H16O5
Num Rotatable Bonds
5