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7-Hydroxycadalene

PubChem CID: 608115

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Compound Synonyms 7-Hydroxycadalene, 2102-75-2, 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol, 3,8-Dimethyl-5-isopropyl-2-naphthol, 5-Isopropyl-3,8-dimethylnaphthalen-2-ol, 7-Hydroxycadalin, starbld0015280, CHEMBL451475, DTXSID30345931, CHEBI:197068, RIWNMJBJRPCUBX-UHFFFAOYSA-N, 5-Isopropyl-3,8-dimethyl-2-naphthol, AKOS040761245, 5-Isopropyl-3,8-dimethyl-2-naphthol #, CS-0144677
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 C1CCC2CCCCC2C1
Np Classifier Class Cadinane sesquiterpenoids
Deep Smiles Ccccccccc6cc%10O))))C))))CC)C
Heavy Atom Count 16.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2CCCCC2C1
Classyfire Subclass Sesquiterpenoids
Isotope Atom Count 0.0
Molecular Complexity 236.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a., Q16236, P40763
Iupac Name 3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 4.7
Gsk 4 400 Rule False
Molecular Formula C15H18O
Scaffold Graph Node Bond Level c1ccc2ccccc2c1
Prediction Swissadme 1.0
Inchi Key RIWNMJBJRPCUBX-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.3333333333333333
Logs -5.019
Rotatable Bond Count 1.0
Logd 4.158
Synonyms 7-hydroxycadalene
Esol Class Moderately soluble
Functional Groups cO
Compound Name 7-Hydroxycadalene
Prediction Hob Swissadme 1.0
Exact Mass 214.136
Formal Charge 0.0
Monoisotopic Mass 214.136
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 214.3
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.5073096
Inchi InChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5-9,16H,1-4H3
Smiles CC1=C2C=C(C(=CC2=C(C=C1)C(C)C)C)O
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Sesquiterpenoids