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Juniper camphor

PubChem CID: 5318734

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Compound Synonyms Juniper camphor, 473-04-1, (+)-Juniper Camphor, (+/-)-Juniper Camphor, SCHEMBL16567847, HY-N12039, (1R,4aR,8aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol, CS-0890960, rel-(1R,4aR,8aR)-Decahydro-1,4a-dimethyl-7-(1-methylethylidene)-1-naphthalenol, 75363-78-9
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2CCCCC2C1
Np Classifier Class Eudesmane sesquiterpenoids
Deep Smiles CC=CCC[C@@][C@@H]C6)[C@]C)O)CCC6)))))C)))))C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level CC1CCC2CCCCC2C1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 313.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (1R,4aR,8aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,5,6,8,8a-hexahydro-2H-naphthalen-1-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.9
Gsk 4 400 Rule False
Molecular Formula C15H26O
Scaffold Graph Node Bond Level C=C1CCC2CCCCC2C1
Prediction Swissadme 0.0
Inchi Key STRABSCAWZINIF-RBSFLKMASA-N
Silicos It Class Soluble
Fcsp3 0.8666666666666667
Logs -4.307
Rotatable Bond Count 0.0
Logd 3.963
Synonyms juniper camphor, juniper camphor c, junipercamphor
Esol Class Soluble
Functional Groups CC(C)=C(C)C, CO
Compound Name Juniper camphor
Prediction Hob Swissadme 0.0
Exact Mass 222.198
Formal Charge 0.0
Monoisotopic Mass 222.198
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 222.37
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.6694063999999997
Inchi InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3/t13-,14-,15-/m1/s1
Smiles CC(=C1CC[C@]2(CCC[C@@]([C@@H]2C1)(C)O)C)C
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids