Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 8Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72819
- Core Entity Id
- 135468
- Source Entity Count
- 1
- Preferred Name
- isopropyl palmitate
- Name En
- Pubchem Id
- 8907
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)OC(C)C
- Molecular Formula
- C19H38O2
- Molecular Weight
- 298.2900
- Inchikey
- XUGNVMKQXJXZCD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.2000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 16
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
isopropyl palmitate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
isopropyl palmitate
Itcmdb Generated
ITX-INGREDIENT-19A6F0DE9DCC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
298.290
Molecular Formula
C19H38O2
Fda Maximum Daily Dose (Fdamdd)
0.015
Quantitative Estimate Of Drug Likeness（Qed）
0.257