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name Structure Reference Source Properties Activities Metabolism

methyl (1R,12R,19R)-5-methoxy-12-[(1S)-1-(3,4,5-trimethoxybenzoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9-tetraene-10-carboxylate

AlkaPlorer ID: AK014608

Synonym: None

IUPAC Name: methyl (1R,12R,19R)-5-methoxy-12-[(1S)-1-(3,4,5-trimethoxybenzoyl)oxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate

Structure

SMILES: COC(=O)C1=C2NC3=CC(OC)=CC=C3[C@@]23CCN2CCC[C@@]([C@H](C)OC(=O)C4=CC(OC)=C(OC)C(OC)=C4)(C1)[C@H]23

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InChI: InChI=1S/C32H38N2O8/c1-18(42-28(35)19-14-24(38-3)26(40-5)25(15-19)39-4)31-10-7-12-34-13-11-32(30(31)34)22-9-8-20(37-2)16-23(22)33-27(32)21(17-31)29(36)41-6/h8-9,14-16,18,30,33H,7,10-13,17H2,1-6H3/t18-,30-,31-,32-/m0/s1

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InChIKey: LUYXSVXUFFVNQZ-DDKLVFLJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Alstonia mairei Alstonia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 578.6620000000003

TPSA？: 104.79

MolLogP？: 4.315100000000004

Number of H-Donors: 1

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information