(16Z)-25-{9H-pyrido[3,4-b]indol-1-yl}-28-oxa-11,22-diazahexacyclo[11.11.2.1²,²².1?,?.0²,¹².0?,¹¹]octacosa-16,25-diene-7,13-diol
AlkaPlorer ID: AK122714
Synonym: None
IUPAC Name: (1R,2R,4R,7R,8S,12R,13S)-25-(9H-pyrido[3,4-b]indol-1-yl)-28-oxa-11,22-diazahexacyclo[11.11.2.12,22.14,8.02,12.04,11]octacosa-16,25-diene-7,13-diol
Structure
SMILES: O[C@@H]1CC[C@@]23C[C@]45CN6CCCCC=CCC[C@](O)(C=C(C7=NC=CC8=C7NC7=CC=CC=C78)[C@@H]4CC6)[C@@H]5N2CC[C@@H]1O3
InChI: InChI=1S/C36H44N4O3/c41-29-11-16-36-22-34-23-39-18-8-4-2-1-3-7-15-35(42,33(34)40(36)20-14-30(29)43-36)21-26(27(34)13-19-39)31-32-25(12-17-37-31)24-9-5-6-10-28(24)38-32/h1,3,5-6,9-10,12,17,21,27,29-30,33,38,41-42H,2,4,7-8,11,13-16,18-20,22-23H2/t27-,29+,30-,33+,34-,35-,36+/m0/s1
InChIKey: BKEROKGINJVXMS-PJOPPWRVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthostrongylophora ingens | Acanthostrongylophora | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 580.773
TPSA？: 84.85
MolLogP？: 5.387000000000005
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|