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: 3Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67670
- Core Entity Id
- 130319
- Source Entity Count
- 1
- Preferred Name
- 2-propylpentanoate
- Name En
- Pubchem Id
- 3549980
- Smiles Canonical
- CCCC(CCC)C(=O)[O-]
- Molecular Formula
- C8H15O2-
- Molecular Weight
- 143.1100
- Inchikey
- NIJJYAXOARWZEE-UHFFFAOYSA-M
- Inchi
- InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.4000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 40.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-propylpentanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-propylpentanoate
Itcmdb Generated
ITX-INGREDIENT-12FBBDDACCFB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
143.110
Molecular Formula
C8H15O2-
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.642