Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67933
- Core Entity Id
- 130582
- Source Entity Count
- 1
- Preferred Name
- 3,7-dimethylnonane
- Name En
- Pubchem Id
- 28458
- Smiles Canonical
- CCC(C)CCCC(C)CC
- Molecular Formula
- C11H24
- Molecular Weight
- 156.1900
- Inchikey
- YGPVLXJHRFZYJJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.6000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3,7-dimethylnonane
Itcmdb Generated
ITX-INGREDIENT-ECE0F8BBCDAF
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
156.190
Molecular Formula
C11H24
Fda Maximum Daily Dose (Fdamdd)
0.107
Quantitative Estimate Of Drug Likeness（Qed）
0.539