(10Z,26Z,29Z,31Z)-33,34-dihydroxy-5,22-diazapentacyclo[16.16.1.0¹,²².0²,²?.0?,³?]pentatriaconta-10,26,29,31-tetraene-18-carbaldehyde
AlkaPlorer ID: AK270817
Synonym: None
IUPAC Name: 33,34-dihydroxy-5,22-diazapentacyclo[16.16.1.01,22.02,20.05,35]pentatriaconta-10,26,29,31-tetraene-18-carbaldehyde
Structure
SMILES: O=CC12CCCCCCC=CCCCCN3CCC4C(CN5CCCC=CCC=CC=CC(O)C(O)C45C31)C2
InChI: InChI=1S/C34H52N2O3/c37-27-33-21-16-12-8-4-1-2-5-9-13-17-22-35-24-20-29-28(25-33)26-36-23-18-14-10-6-3-7-11-15-19-30(38)31(39)34(29,36)32(33)35/h2,5-7,10-11,15,19,27-32,38-39H,1,3-4,8-9,12-14,16-18,20-26H2
InChIKey: PERDMCCQHJQUJN-UHFFFAOYSA-N
Reference
Structural and stereochemical studies of saraines: Macrocyclic alkaloids of the sponge Reniera sarai
PubChem CID: 163050223
LOTUS: LTS0269321
COCONUT: CNP0333512
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haliclona sarai | Haliclona | Chalinidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 536.8010000000002
TPSA？: 64.01
MolLogP？: 5.591500000000008
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|