Kapakahine G
AlkaPlorer ID: AK056022
Synonym: ''
IUPAC Name: (1R,11R,14R,20S,23S,29R,32S,35S,38R,48R)-11-amino-38-benzyl-32-[(1R)-1-hydroxyethyl]-14-[2-[(S)-methylsulfinyl]ethyl]-23-propan-2-yl-2,13,16,22,25,31,34,37,40-nonazanonacyclo[33.11.1.11,37.12,9.03,8.016,20.025,29.041,46.040,48]nonatetraconta-3,5,7,9(49),41,43,45-heptaene-12,15,21,24,30,33,36,39-octone
Structure
SMILES: CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC[S@](C)=O)NC(=O)[C@H](N)CC2=CN(C3=CC=CC=C23)[C@]23C[C@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]4CCCN4C1=O)C(=O)N1[C@H](CC4=CC=CC=C4)C(=O)N(C4=CC=CC=C42)[C@@H]13
InChI: InChI=1S/C55H66N10O10S/c1-30(2)44-53(74)62-24-13-21-42(62)48(69)60-45(31(3)66)49(70)58-38-28-55(35-17-9-11-19-40(35)64-52(73)43(65(51(38)72)54(55)64)26-32-14-6-5-7-15-32)63-29-33(34-16-8-10-18-39(34)63)27-36(56)46(67)57-37(22-25-76(4)75)50(71)61-23-12-20-41(61)47(68)59-44/h5-11,14-19,29-31,36-38,41-45,54,66H,12-13,20-28,56H2,1-4H3,(H,57,67)(H,58,70)(H,59,68)(H,60,69)/t31-,36-,37-,38+,41+,42-,43-,44+,45+,54+,55-,76+/m1/s1
InChIKey: YZVHZBGZAVQQDY-OBWUTWGYSA-N
Reference
More Kapakahines from the Marine Sponge <i>Cribrochalina </i><i>o</i><i>lemda</i>
PubChem CID: 163057561
LOTUS: LTS0110473
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Niphates olemda | Niphates | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1059.2599999999998
TPSA？: 265.89
MolLogP？: 0.5248000000000057
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|