IngredientID 65978
1,2,3,4,4a,5,6,8a-Octahydro-7-methyl-4-methylene-1-(1-methylethyl)-naphthalene
C15H24
Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65978
- Core Entity Id
- 128627
- Source Entity Count
- 1
- Preferred Name
- 1,2,3,4,4a,5,6,8a-Octahydro-7-methyl-4-methylene-1-(1-methylethyl)-naphthalene
- Name En
- Pubchem Id
- 12313020
- Smiles Canonical
- CC1=CC2C(CC1)C(=C)CCC2C(C)C
- Molecular Formula
- C15H24
- Molecular Weight
- 204.1900
- Inchikey
- WRHGORWNJGOVQY-ZNMIVQPWSA-N
- Inchi
- InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.3000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,2,3,4,4a,5,6,8a-Octahydro-7-methyl-4-methylene-1-(1-methylethyl)-naphthalene
Itcmdb Generated
ITX-INGREDIENT-5E9E8402F860
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
204.190
Molecular Formula
C15H24
Fda Maximum Daily Dose (Fdamdd)
0.067
Quantitative Estimate Of Drug Likeness（Qed）
0.548