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
- 50990
- Core Entity Id
- 94001
- Source Entity Count
- 1
- Preferred Name
- L-3α,6β-Ditigloyloxytropane
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C18H27NO4
- Molecular Weight
- 321.1900
- 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
L-3α,6β-Ditigloyloxytropane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
L-3α,6β-Ditigloyloxytropane
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN036438
Etcm Ingredient
L-3α,6β-Ditigloyloxytropane
Itcmdb Generated
ITX-INGREDIENT-51FF356CDC40ITX-INGREDIENT-90E5257E42D1
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
毛曼陀罗根
Tcm Name2
MAO MAN TUO LUO GEN
Mol2 Path
/TCM_database/2007_3d_all/06525.mol2
Reference
6, 660
Tcm Name En
Hairy Datura Root
Molecular Weight
321.190
Molecular Formula
C18H27NO4
Fda Maximum Daily Dose (Fdamdd)
0.950
Quantitative Estimate Of Drug Likeness（Qed）
0.588