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
- 66628
- Core Entity Id
- 129277
- Source Entity Count
- 1
- Preferred Name
- 1-ethyl-2-methylcyclodecane
- Name En
- Pubchem Id
- 123578609
- Smiles Canonical
- CCC1CCCCCCCCC1C
- Molecular Formula
- C13H26
- Molecular Weight
- 182.2000
- Inchikey
- RBDFXEJIPDXAMR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H26/c1-3-13-11-9-7-5-4-6-8-10-12(13)2/h12-13H,3-11H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.5000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-ethyl-2-methylcyclodecane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-ethyl-2-methylcyclodecane
Itcmdb Generated
ITX-INGREDIENT-770B3CC4B1EC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
182.200
Molecular Formula
C13H26
Fda Maximum Daily Dose (Fdamdd)
0.033
Quantitative Estimate Of Drug Likeness（Qed）
0.547