Pseudocurine

AlkaPlorer ID: AK311468

Synonym: None

IUPAC Name: 21,25-dimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.118,22.011,16.027,31]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24,26,31,34-dodecaene-4,36-diol

Structure

SMILES: COC1=CC=C2C=C1OC1=CC3=C(C=C1OC)CCN(C)C3CC1=C(O)C=CC(=C1O)OC1=CC=C3CCN(C)C(C2)C3=C1

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InChI: InChI=1S/C36H38N2O6/c1-37-13-11-22-6-7-24-18-25(22)28(37)15-21-5-9-31(41-3)34(16-21)44-35-20-26-23(17-33(35)42-4)12-14-38(2)29(26)19-27-30(39)8-10-32(43-24)36(27)40/h5-10,16-18,20,28-29,39-40H,11-15,19H2,1-4H3

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InChIKey: CWVYOJOJCQTCEG-UHFFFAOYSA-N

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Reference

PubChem CID: 86302474

CAS: 1611535-05-7

Source

Properties Information

Molecule Weight: 594.7080000000001

TPSA: 83.86

MolLogP: 6.556400000000008

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