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

AlkaPlorer ID: AK071429

Synonym: None

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

Structure

SMILES: COC1=CC=C2C(=C1)[C@H](O)[C@H]1NCCC3=CC4=C(OCO4)C2=C31

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InChI: InChI=1S/C18H17NO4/c1-21-10-2-3-11-12(7-10)17(20)16-14-9(4-5-19-16)6-13-18(15(11)14)23-8-22-13/h2-3,6-7,16-17,19-20H,4-5,8H2,1H3/t16-,17-/m0/s1

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InChIKey: FNIMTHKEVAWLQL-IRXDYDNUSA-N

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Properties Information

Molecule Weight: 311.3370000000001

TPSA: 59.95

MolLogP: 2.3247

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information