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name Structure Reference Source Properties Activities Metabolism

methyl 17-ethyl-7-methoxy-17,18-dimethyl-3,13-diazapentacyclo[13.3.1.0²,¹?.0?,?.0¹³,¹?]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

AlkaPlorer ID: AK014392

Synonym: None

IUPAC Name: methyl (1S,17R,18R)-17-ethyl-7-methoxy-17,18-dimethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

Structure

SMILES: CC[C@]1(C)CC2CN3CCC4=C(NC5=CC=C(OC)C=C45)[C@@](C(=O)OC)(C2)[C@]31C

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InChI: InChI=1S/C24H32N2O3/c1-6-22(2)12-15-13-24(21(27)29-5)20-17(9-10-26(14-15)23(22,24)3)18-11-16(28-4)7-8-19(18)25-20/h7-8,11,15,25H,6,9-10,12-14H2,1-5H3/t15?,22-,23-,24-/m1/s1

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InChIKey: YGRJGDBMLTZRLL-NQLXVEKGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Callichilia barteri Callichilia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 396.5310000000002

TPSA？: 54.56

MolLogP？: 4.044000000000003

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information