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
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66720
- Core Entity Id
- 129369
- Source Entity Count
- 1
- Preferred Name
- 1-methyl-4-(1-methylethyl)-3-cyclohexen-1-ol
- Name En
- Pubchem Id
- 11468
- Smiles Canonical
- CC(C)C1=CCC(CC1)(C)O
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.1400
- Inchikey
- XJWZDXFFNOMMTD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,8,11H,5-7H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.0000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-methyl-4-(1-methylethyl)-3-cyclohexen-1-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-methyl-4-(1-methylethyl)-3-cyclohexen-1-ol
Itcmdb Generated
ITX-INGREDIENT-CA799D91182B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
154.140
Molecular Formula
C10H18O
Fda Maximum Daily Dose (Fdamdd)
0.060
Quantitative Estimate Of Drug Likeness（Qed）
0.575