Malycorin B

AlkaPlorer ID: AK119692

Synonym: '', 'malycorin B'

IUPAC Name: [(1S,10S,11S,12S,13S,14R,15S)-14-acetyloxy-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-12-yl] 3-(4-hydroxy-3-methoxyphenyl)propanoate

Structure

SMILES: COC1=CC(CCC(=O)O[C@@H]2[C@@H](O)[C@H]3CCCN4CCC=C5[C@H]2[C@H](OC(C)=O)[C@@H](C)C[C@@]534)=CC=C1O

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InChI: InChI=1S/C28H37NO7/c1-16-15-28-19-6-4-12-29(28)13-5-7-20(28)25(33)27(24(19)26(16)35-17(2)30)36-23(32)11-9-18-8-10-21(31)22(14-18)34-3/h6,8,10,14,16,20,24-27,31,33H,4-5,7,9,11-13,15H2,1-3H3/t16-,20+,24-,25-,26+,27-,28+/m0/s1

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InChIKey: QKLBNMIUTTXAQN-CJPWSKMZSA-N

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Source

Properties Information

Molecule Weight: 499.6040000000003

TPSA: 105.53000000000002

MolLogP: 2.988300000000001

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information