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
- 69026
- Core Entity Id
- 131675
- Source Entity Count
- 1
- Preferred Name
- 5-methylpentadecane
- Name En
- Pubchem Id
- 32796
- Smiles Canonical
- CCCCCCCCCCC(C)CCCC
- Molecular Formula
- C16H34
- Molecular Weight
- 226.2700
- Inchikey
- YWUXIGHUBKWHRW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H34/c1-4-6-8-9-10-11-12-13-15-16(3)14-7-5-2/h16H,4-15H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.6000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 12
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-methylpentadecane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5-methylpentadecane
Itcmdb Generated
ITX-INGREDIENT-0F6103886DBB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
226.270
Molecular Formula
C16H34
Fda Maximum Daily Dose (Fdamdd)
0.027
Quantitative Estimate Of Drug Likeness（Qed）
0.340