Melanthioidine; (RS,RS)-form 

AlkaPlorer ID: AK305427

Synonym: None

IUPAC Name: 32,36-dimethoxy-11,27-dimethyl-2,18-dioxa-11,27-diazaheptacyclo[24.6.2.214,17.13,7.119,23.010,15.030,34]octatriaconta-1(32),3,5,7(38),14(37),15,17(36),19,21,23(35),30,33-dodecaene-4,20-diol

Structure

SMILES: COC1=CC2=C3C=C1OC1=CC(=CC=C1O)CCC1C4=C(C=C(OC)C(=C4)OC4=CC(=CC=C4O)CCC3N(C)CC2)CCN1C

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InChI: InChI=1S/C38H42N2O6/c1-39-15-13-25-19-35(43-3)37-21-27(25)29(39)9-5-23-7-11-31(41)33(17-23)46-38-22-28-26(20-36(38)44-4)14-16-40(2)30(28)10-6-24-8-12-32(42)34(18-24)45-37/h7-8,11-12,17-22,29-30,41-42H,5-6,9-10,13-16H2,1-4H3

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InChIKey: XNSMRWFCBDZTJY-UHFFFAOYSA-N

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Reference

PubChem CID: 15560443

COCONUT: CNP0182676.2

Source

Properties Information

Molecule Weight: 622.762

TPSA: 83.86

MolLogP: 7.33660000000001

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information