Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 11Links: 22
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72144
- Core Entity Id
- 134793
- Source Entity Count
- 1
- Preferred Name
- Ganlaoqin
- Name En
- Pubchem Id
- 9907842
- Smiles Canonical
- CCC(C)C(C(=O)O)N.CC(C)CC(C(=O)O)N.CC(C)C(C(=O)O)N
- Molecular Formula
- C17H37N3O6
- Molecular Weight
- 379.2700
- Inchikey
- OCUSNPIJIZCRSZ-ZTZWCFDHSA-N
- Inchi
- InChI=1S/2C6H13NO2.C5H11NO2/c1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-3(2)4(6)5(7)8/h2*4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8)/t5-;4-,5-;4-/m000/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.9431
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 190.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ganlaoqin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Ganlaoqin
Itcmdb Generated
ITX-INGREDIENT-4325E0759C7D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
379.270
Molecular Formula
C17H37N3O6
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.584