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Oliveridine

PubChem CID: 13891891

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Compound Synonyms oliveridine, 53602-02-1, CHEMBL506088, DTXSID901111188, 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-ol, 6,7,7a,8-tetrahydro-10-methoxy-7-methyl-, (7aS,8S)-
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 51.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2C(C1)CC1CCCC3CC4CCCC4C2C13
Np Classifier Class Aporphine alkaloids
Deep Smiles COcccc-ccOCOc5ccc9[C@@H][C@H]c%13c%17))O))NC)CC6
Heavy Atom Count 24.0
Classyfire Class Aporphines
Scaffold Graph Node Level C1CCC2C(C1)CC1NCCC3CC4OCOC4C2C31
Classyfire Subclass Hydroxy-7-aporphines
Isotope Atom Count 0.0
Molecular Complexity 488.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (12S,13S)-16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-13-ol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Alkaloids and derivatives
Xlogp 2.2
Gsk 4 400 Rule True
Molecular Formula C19H19NO4
Scaffold Graph Node Bond Level c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4
Prediction Swissadme 1.0
Inchi Key HKTOYUUCGONYEC-ROUUACIJSA-N
Silicos It Class Moderately soluble
Fcsp3 0.3684210526315789
Logs -3.171
Rotatable Bond Count 1.0
Logd 2.577
Synonyms oliveridine
Esol Class Soluble
Functional Groups CN(C)C, CO, c1cOCO1, cOC
Compound Name Oliveridine
Prediction Hob Swissadme 1.0
Exact Mass 325.131
Formal Charge 0.0
Monoisotopic Mass 325.131
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 325.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.522056800000001
Inchi InChI=1S/C19H19NO4/c1-20-6-5-10-7-14-19(24-9-23-14)16-12-4-3-11(22-2)8-13(12)18(21)17(20)15(10)16/h3-4,7-8,17-18,21H,5-6,9H2,1-2H3/t17-,18-/m0/s1
Smiles CN1CCC2=CC3=C(C4=C2[C@H]1[C@H](C5=C4C=CC(=C5)OC)O)OCO3
Nring 5.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Tyrosine alkaloids