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name Structure Reference Source Properties Activities Metabolism

(1R,14S)-21,25-dimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18,20,22(33),24,26,31,34-dodecaene-6,20-diol

AlkaPlorer ID: AK008297

Synonym: None

IUPAC Name: (1R,14S)-21,25-dimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene-6,20-diol

Structure

SMILES: COC1=CC2=C3C=C1OC1=C4C(=CC(O)=C1OC)CCN(C)[C@H]4CC1=CC=C(C=C1)OC1=CC(=CC=C1O)C[C@H]3N(C)CC2

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InChI: InChI=1S/C36H38N2O6/c1-37-13-11-23-19-32(41-3)33-20-26(23)27(37)16-22-7-10-29(39)31(17-22)43-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)18-30(40)35(42-4)36(34)44-33/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m1/s1

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InChIKey: GGGLDIBSBGBODX-IZLXSDGUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Berberis lycium Berberis Berberidaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 594.708

TPSA？: 83.86

MolLogP？: 6.556400000000008

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information