Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 10Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65846
- Core Entity Id
- 128495
- Source Entity Count
- 1
- Preferred Name
- (Z)-hexadec-9-enoic acid
- Name En
- Pubchem Id
- 445638
- Smiles Canonical
- CCCCCCC=CCCCCCCCC(=O)O
- Molecular Formula
- C16H30O2
- Molecular Weight
- 254.2200
- Inchikey
- SECPZKHBENQXJG-FPLPWBNLSA-N
- Inchi
- InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.4000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 13
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(Z)-hexadec-9-enoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(Z)-hexadec-9-enoic acid
Itcmdb Generated
ITX-INGREDIENT-F8F039E6CCE2
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
254.220
Molecular Formula
C16H30O2
Fda Maximum Daily Dose (Fdamdd)
0.028
Quantitative Estimate Of Drug Likeness（Qed）
0.356