IngredientID 65251
(1R,4R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahy dro-1-naphthalenol
C15H26O
Relationship Network
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Herb: 1Ingredient: 1Target: 3Links: 7
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65251
- Core Entity Id
- 127900
- Source Entity Count
- 1
- Preferred Name
- (1R,4R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahy dro-1-naphthalenol
- Name En
- Pubchem Id
- 146158115
- Smiles Canonical
- CC1CCC(C2C1CCC(=C2)C)(C(C)C)O
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.2000
- Inchikey
- MUROKQYXIPVTGD-MLGYPOCJSA-N
- Inchi
- InChI=1S/C15H26O/c1-10(2)15(16)8-7-12(4)13-6-5-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12?,13?,14?,15-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.7000
- 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
(1R,4R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahy dro-1-naphthalenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(1R,4R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahy dro-1-naphthalenol
Itcmdb Generated
ITX-INGREDIENT-112F7B0C62BB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
222.200
Molecular Formula
C15H26O
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.669