Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68006
- Core Entity Id
- 130655
- Source Entity Count
- 1
- Preferred Name
- 3-Cyclohexyldodecane
- Name En
- Pubchem Id
- 524423
- Smiles Canonical
- CCCCCCCCCC(CC)C1CCCCC1
- Molecular Formula
- C18H36
- Molecular Weight
- 252.2800
- Inchikey
- ZDMYCNLANBQLOI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H36/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h17-18H,3-16H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 9.2000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-Cyclohexyldodecane
Itcmdb Generated
ITX-INGREDIENT-429D9DFF648B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
252.280
Molecular Formula
C18H36
Fda Maximum Daily Dose (Fdamdd)
0.035
Quantitative Estimate Of Drug Likeness（Qed）
0.378