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
Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69667
- Core Entity Id
- 132316
- Source Entity Count
- 1
- Preferred Name
- 9-octadecanoic acid
- Name En
- Pubchem Id
- 445639
- Smiles Canonical
- CCCCCCCCC=CCCCCCCCC(=O)O
- Molecular Formula
- C18H32O2
- Molecular Weight
- 280.2400
- Inchikey
- ZQPPMHVWECSIRJ-KTKRTIGZSA-N
- Inchi
- InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.5000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 15
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-octadecanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
9-octadecanoic acid
Itcmdb Generated
ITX-INGREDIENT-A4EBEEA7BB57
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
280.240
Molecular Formula
C18H32O2
Fda Maximum Daily Dose (Fdamdd)
0.036
Quantitative Estimate Of Drug Likeness（Qed）
0.354