Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 13113
- Core Entity Id
- 17744
- Source Entity Count
- 1
- Preferred Name
- Buergerinin a
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C12H18O3
- Molecular Weight
- 210.1300
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Buergerinin A
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Buergerinin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Buergerinin A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Buergerinin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Buergerinin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
buergerinin a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018966
Tcmid
2702
Sym Map
SMIT14510
Tcmbank
TCMBANKIN040395
Etcm Ingredient
Buergerinin A
Itcmdb Generated
ITX-INGREDIENT-C684174AE5B1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/02702.mol2
Reference
8
Molecular Weight
210.130
Molecule Formula
C12H18O3
Molecular Formula
C12H18O3
Molecular Formula
C12H18O3
Molecular Formula
C12H18O3
Fda Maximum Daily Dose (Fdamdd)
0.335
Quantitative Estimate Of Drug Likeness（Qed）
0.570