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
- 66840
- Core Entity Id
- 129489
- Source Entity Count
- 1
- Preferred Name
- 2-(1,5-Dimethyl-4-hexenyl)-4-methyl-3-cyclohexen-1-ol
- Name En
- Pubchem Id
- 557140
- Smiles Canonical
- CC1=CC(C(CC1)O)C(C)CCC=C(C)C
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.2000
- Inchikey
- LYXOSFSWURRPAF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H26O/c1-11(2)6-5-7-13(4)14-10-12(3)8-9-15(14)16/h6,10,13-16H,5,7-9H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.1000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(1,5-Dimethyl-4-hexenyl)-4-methyl-3-cyclohexen-1-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-(1,5-Dimethyl-4-hexenyl)-4-methyl-3-cyclohexen-1-ol
Itcmdb Generated
ITX-INGREDIENT-6DBBB4B905E2
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
222.200
Molecular Formula
C15H26O
Fda Maximum Daily Dose (Fdamdd)
0.044
Quantitative Estimate Of Drug Likeness（Qed）
0.710