Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69649
- Core Entity Id
- 132298
- Source Entity Count
- 1
- Preferred Name
- 9-hexadecenoic acid methyl ester
- Name En
- Pubchem Id
- 638303
- Smiles Canonical
- CCCCCCC=CCCCCCCCC(=O)OC
- Molecular Formula
- C17H32O2
- Molecular Weight
- 268.2400
- Inchikey
- IZFGRAGOVZCUFB-CMDGGOBGSA-N
- Inchi
- InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.5000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-hexadecenoic acid methyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
9-hexadecenoic acid methyl ester
Itcmdb Generated
ITX-INGREDIENT-D82C1725EBD8
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
268.240
Molecular Formula
C17H32O2
Fda Maximum Daily Dose (Fdamdd)
0.039
Quantitative Estimate Of Drug Likeness（Qed）
0.253