Kapakahine F
AlkaPlorer ID: AK102162
Synonym: ''
IUPAC Name: (1S,11S,14S,17S,20S,23S,33R)-11-amino-23-benzyl-17-[(2R)-butan-2-yl]-14-methyl-2,13,16,19,22,25-hexazaheptacyclo[18.11.1.11,22.12,9.03,8.026,31.025,33]tetratriaconta-3,5,7,9(34),26,28,30-heptaene-12,15,18,21,24-pentone
Structure
SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@H](C)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/C40H43N7O5/c1-4-22(2)33-36(50)43-29-20-40(45-21-25(26-14-8-10-16-30(26)45)19-28(41)35(49)42-23(3)34(48)44-33)27-15-9-11-17-31(27)46-38(52)32(47(37(29)51)39(40)46)18-24-12-6-5-7-13-24/h5-17,21-23,28-29,32-33,39H,4,18-20,41H2,1-3H3,(H,42,49)(H,43,50)(H,44,48)/t22-,23+,28+,29+,32+,33+,39+,40+/m1/s1
InChIKey: HAZJVHSDJFQKMP-GUOUKVMYSA-N
Reference
More Kapakahines from the Marine Sponge <i>Cribrochalina </i><i>o</i><i>lemda</i>
PubChem CID: 163104229
LOTUS: LTS0250819
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Niphates olemda | Niphates | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 701.8280000000002
TPSA？: 158.87
MolLogP？: 2.3186000000000053
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|