Pukateine

AlkaPlorer ID: AK023564

Synonym: '', 'Pukateine'

IUPAC Name: (12R)-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-18-ol

Structure

SMILES: CN1CCC2=CC3=C(OCO3)C3=C2[C@H]1CC1=CC=CC(O)=C13

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InChI: InChI=1S/C18H17NO3/c1-19-6-5-11-8-14-18(22-9-21-14)17-15(11)12(19)7-10-3-2-4-13(20)16(10)17/h2-4,8,12,20H,5-7,9H2,1H3/t12-/m1/s1

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InChIKey: IKMXUUHNYQWZBC-GFCCVEGCSA-N

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Source

Properties Information

Molecule Weight: 295.338

TPSA: 41.93000000000001

MolLogP: 2.8730000000000016

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information