(12S,13S)-13-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-16-ol

AlkaPlorer ID: AK106367

Synonym: None

IUPAC Name: (12S,13S)-13-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-16-ol

Structure

SMILES: CO[C@H]1C2=CC(O)=CC=C2C2=C3OCOC3=CC3=C2[C@@H]1N(C)CC3

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InChI: InChI=1S/C19H19NO4/c1-20-6-5-10-7-14-19(24-9-23-14)16-12-4-3-11(21)8-13(12)18(22-2)17(20)15(10)16/h3-4,7-8,17-18,21H,5-6,9H2,1-2H3/t17-,18-/m0/s1

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InChIKey: AMLISIIZGNCGBV-ROUUACIJSA-N

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Properties Information

Molecule Weight: 325.36400000000003

TPSA: 51.16

MolLogP: 3.0180000000000016

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information