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
- 68646
- Core Entity Id
- 131295
- Source Entity Count
- 1
- Preferred Name
- 4-methyl-5-decanol
- Name En
- Pubchem Id
- 557858
- Smiles Canonical
- CCCCCC(C(C)CCC)O
- Molecular Formula
- C11H24O
- Molecular Weight
- 172.1800
- Inchikey
- IWDFXEWIRIPTIB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H24O/c1-4-6-7-9-11(12)10(3)8-5-2/h10-12H,4-9H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.2000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-methyl-5-decanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4-methyl-5-decanol
Itcmdb Generated
ITX-INGREDIENT-592A97786D5F
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
172.180
Molecular Formula
C11H24O
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.584