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
- 69239
- Core Entity Id
- 131888
- Source Entity Count
- 1
- Preferred Name
- 6-methyloctadecane
- Name En
- Pubchem Id
- 93065
- Smiles Canonical
- CCCCCCCCCCCCC(C)CCCCC
- Molecular Formula
- C19H40
- Molecular Weight
- 268.3100
- Inchikey
- MMQAZWNADBJFCD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H40/c1-4-6-8-9-10-11-12-13-14-16-18-19(3)17-15-7-5-2/h19H,4-18H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 10.2000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 15
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-methyloctadecane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
6-methyloctadecane
Itcmdb Generated
ITX-INGREDIENT-7CF84B0CD63A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
268.310
Molecular Formula
C19H40
Fda Maximum Daily Dose (Fdamdd)
0.030
Quantitative Estimate Of Drug Likeness（Qed）
0.269