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(+)-delta-Selinene

PubChem CID: 12308846

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Compound Synonyms (+)-delta-selinene, 28624-28-4, eudesma-4,6-diene, CHEBI:49279, (8aR)-6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene, (8aR)-4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene, (8aR)-4,8a-dimethyl-6-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene eudesma-4,6-diene, (4aR)-1,4a-dimethyl-7-(propan-2-yl)-2,3,4,4a,5,6-hexahydronaphthalene, (8aR)-4,8a-dimethyl-6-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene, (+)-I -Selinene, DTXSID601317280, LMPR0103880003, C19742, Q27121588, (+)-delta-Selinene, (+)-delta-Selinene, Naphthalene, 2,3,4,4a,5,6-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, (4aR)-, Eudesma-4,6-diene (8CI), Naphthalene, 2,3,4,4a,5,6-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, (R)-, (4aR)-2,3,4,4a,5,6-Hexahydro-1,4a-dimethyl-7-(1-methylet
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2CCCCC2C1
Np Classifier Class Eudesmane sesquiterpenoids
Deep Smiles CC=CC=CCC[C@]6CCC%10)))C))))CC)C
Heavy Atom Count 15.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2CCCCC2C1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 317.0
Database Name imppat_phytochem;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (8aR)-4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.3
Gsk 4 400 Rule False
Molecular Formula C15H24
Scaffold Graph Node Bond Level C1=CC2=CCCCC2CC1
Inchi Key VEGYMPQCXPVQJY-OAHLLOKOSA-N
Silicos It Class Soluble
Rotatable Bond Count 1.0
Synonyms delta-selinene, δ-selinene, 𝛿-selinene
Esol Class Soluble
Functional Groups CC(C)=CC(C)=C(C)C
Compound Name (+)-delta-Selinene
Exact Mass 204.188
Formal Charge 0.0
Monoisotopic Mass 204.188
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 204.35
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Inchi InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11H,5-9H2,1-4H3/t15-/m1/s1
Smiles CC1=C2C=C(CC[C@]2(CCC1)C)C(C)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids

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