Renieramycin A; 21α-Cyano
AlkaPlorer ID: AK312310
Synonym: Renieramycin O
IUPAC Name: (12-cyano-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl 2-methylbut-2-enoate
Structure
SMILES: CC=C(C)C(=O)OCC1C2=C(CC3C4C5=C(C(=O)C(C)=C(OC)C5=O)C(O)C(C(C#N)N13)N4C)C(=O)C(C)=C(OC)C2=O
InChI: InChI=1S/C31H33N3O9/c1-8-12(2)31(40)43-11-18-19-15(24(35)13(3)29(41-6)27(19)38)9-16-22-20-21(25(36)14(4)30(42-7)28(20)39)26(37)23(33(22)5)17(10-32)34(16)18/h8,16-18,22-23,26,37H,9,11H2,1-7H3
InChIKey: GBUWZFVJCKIAMH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jorunna funebris | Jorunna | Discodorididae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 591.6170000000002
TPSA？: 163.54
MolLogP？: 0.6255800000000016
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|