Kapakahine E
AlkaPlorer ID: AK055984
Synonym: ''
IUPAC Name: (1R,11S,14R,20R,23R,26R,29S,32R,42R)-11-amino-14,32-dibenzyl-23-[(4-hydroxyphenyl)methyl]-26-methyl-2,13,16,22,25,28,31,34-octazaoctacyclo[27.11.1.11,31.12,9.03,8.016,20.035,40.034,42]tritetraconta-3,5,7,9(43),35,37,39-heptaene-12,15,21,24,27,30,33-heptone
Structure
SMILES: C[C@H]1NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](N)CC2=CN(C3=CC=CC=C23)[C@]23C[C@H](NC1=O)C(=O)N1[C@H](CC4=CC=CC=C4)C(=O)N(C4=CC=CC=C42)[C@@H]13
InChI: InChI=1S/C57H57N9O8/c1-33-49(68)62-44-31-57(40-18-9-11-20-46(40)65-55(74)48(66(54(44)73)56(57)65)29-35-15-6-3-7-16-35)64-32-37(39-17-8-10-19-45(39)64)30-41(58)50(69)61-43(28-34-13-4-2-5-14-34)53(72)63-26-12-21-47(63)52(71)60-42(51(70)59-33)27-36-22-24-38(67)25-23-36/h2-11,13-20,22-25,32-33,41-44,47-48,56,67H,12,21,26-31,58H2,1H3,(H,59,70)(H,60,71)(H,61,69)(H,62,68)/t33-,41+,42-,43-,44+,47-,48-,56+,57-/m1/s1
InChIKey: FNMKKNOFVBFNKR-WWDVWSGSSA-N
Reference
More Kapakahines from the Marine Sponge <i>Cribrochalina </i><i>o</i><i>lemda</i>
PubChem CID: 162974435
LOTUS: LTS0109851
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Niphates olemda | Niphates | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 996.1379999999998
TPSA？: 228.51
MolLogP？: 2.939300000000009
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|