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Venoterpine

PubChem CID: 5315179

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Compound Synonyms Venoterpine, Gentialutine, 7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-ol, 17948-42-4, (6S,7R)-6,7-DIHYDRO-7-METHYL-5H-CYCLOPENTA[C]PYRIDIN-6-OL, 7-methyl-5H,6H,7H-cyclopenta[c]pyridin-6-ol, 7-methyl-5H,6H,7H-cyclopenta(c)pyridin-6-ol, 7-methyl-6,7-dihydro-5H-cyclopenta(c)pyridin-6-ol, Alkaloid RW47, CHEBI:172412, SAA94842
Topological Polar Surface Area 33.1
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 11.0
Isotope Atom Count 0.0
Molecular Complexity 148.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-ol
Prediction Hob 1.0
Class Pyridines and derivatives
Xlogp 0.9
Superclass Organoheterocyclic compounds
Molecular Formula C9H11NO
Prediction Swissadme 0.0
Inchi Key IOIGOIPHPUCFOB-UHFFFAOYSA-N
Fcsp3 0.4444444444444444
Rotatable Bond Count 0.0
State Solid
Synonyms Alkaloid RW47, Gentialutine
Compound Name Venoterpine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 149.084
Formal Charge 0.0
Monoisotopic Mass 149.084
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 149.19
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Esol -1.7104329636363633
Inchi InChI=1S/C9H11NO/c1-6-8-5-10-3-2-7(8)4-9(6)11/h2-3,5-6,9,11H,4H2,1H3
Smiles CC1C(CC2=C1C=NC=C2)O
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Pyridines and derivatives