Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66218
- Core Entity Id
- 128867
- Source Entity Count
- 1
- Preferred Name
- 10,13-eicosadienoic acid
- Name En
- Pubchem Id
- 72444876
- Smiles Canonical
- CCCCCCC=CCC=CCCCCCCCCC(=O)O
- Molecular Formula
- C21H38O2
- Molecular Weight
- 322.2900
- Inchikey
- BYHLDPSVWJCXEG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8,10-11H,2-6,9,12-19H2,1H3,(H,21,22)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.9000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 16
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
10,13-eicosadienoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
10,13-eicosadienoic acid
Itcmdb Generated
ITX-INGREDIENT-84E98EFA6D50
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
322.290
Molecular Formula
C21H38O2
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.178