Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 4Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65840
- Core Entity Id
- 128489
- Source Entity Count
- 1
- Preferred Name
- (Z)-9-Octadecenoic acid methyl ester
- Name En
- Pubchem Id
- 5364509
- Smiles Canonical
- CCCCCCCCC=CCCCCCCCC(=O)OC
- Molecular Formula
- C19H36O2
- Molecular Weight
- 296.2700
- Inchikey
- QYDYPVFESGNLHU-KHPPLWFESA-N
- Inchi
- InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.6000
- 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
(Z)-9-Octadecenoic acid methyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(Z)-9-Octadecenoic acid methyl ester
Itcmdb Generated
ITX-INGREDIENT-1669473E578E
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
296.270
Molecular Formula
C19H36O2
Fda Maximum Daily Dose (Fdamdd)
0.034
Quantitative Estimate Of Drug Likeness（Qed）
0.204