Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65680
- Core Entity Id
- 128329
- Source Entity Count
- 1
- Preferred Name
- (9S,10E,12Z)-9-Hydroxyoctadeca-10,12-dienoic acid
- Name En
- Pubchem Id
- 5312830
- Smiles Canonical
- CCCCCC=CC=CC(CCCCCCCC(=O)O)O
- Molecular Formula
- C18H32O3
- Molecular Weight
- 296.2400
- Inchikey
- NPDSHTNEKLQQIJ-UINYOVNOSA-N
- Inchi
- InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.3000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 14
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(9S,10E,12Z)-9-Hydroxyoctadeca-10,12-dienoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(9S,10E,12Z)-9-Hydroxyoctadeca-10,12-dienoic acid
Itcmdb Generated
ITX-INGREDIENT-08F8962E6D10
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
296.240
Molecular Formula
C18H32O3
Fda Maximum Daily Dose (Fdamdd)
0.903
Quantitative Estimate Of Drug Likeness（Qed）
0.355