(1S)-1,2,3,4-Tetrahydromanzamine B
AlkaPlorer ID: AK015271
Synonym: ''
IUPAC Name: (1R,2R,12R,13S,21E,26S,27S)-27-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-25-oxa-3,16-diazapentacyclo[11.11.3.112,16.01,26.02,12]octacosa-8,21-diene
Structure
SMILES: C1=C\CC[C@]23CN4CCCC/C=C/CC[C@@]5(O[C@H]5[C@H]([C@H]5NCCC6=C5NC5=C6C=CC=C5)[C@@H]2CC4)[C@@H]3NCCCC/1
InChI: InChI=1S/C36H50N4O/c1-3-7-13-21-38-34-35(19-11-5-1)25-40-23-14-8-4-2-6-12-20-36(34)33(41-36)30(28(35)18-24-40)32-31-27(17-22-37-32)26-15-9-10-16-29(26)39-31/h1-2,5-6,9-10,15-16,28,30,32-34,37-39H,3-4,7-8,11-14,17-25H2/b5-1-,6-2+/t28-,30-,32+,33-,34+,35-,36-/m0/s1
InChIKey: NNZHASOWBAIFFH-NTBUGXPYSA-N
Reference
A New Manzamine Congener from Marine Sponge Amphimedon sp.
PubChem CID: 162960475
LOTUS: LTS0268237
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 554.823
TPSA？: 55.62
MolLogP？: 6.429200000000006
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|