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
- 69028
- Core Entity Id
- 131677
- Source Entity Count
- 1
- Preferred Name
- 5-methyl-tridecane
- Name En
- Pubchem Id
- 520182
- Smiles Canonical
- CCCCCCCCC(C)CCCC
- Molecular Formula
- C14H30
- Molecular Weight
- 198.2300
- Inchikey
- NFWBQMAWXUZCRJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H30/c1-4-6-8-9-10-11-13-14(3)12-7-5-2/h14H,4-13H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.5000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-methyl-tridecane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5-methyl-tridecane
Itcmdb Generated
ITX-INGREDIENT-1D909B48C6D3
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
198.230
Molecular Formula
C14H30
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.403