Rolloamide A
AlkaPlorer ID: AK093585
Synonym: '(-)-Rolloamide A'
IUPAC Name: (3S,6S,12S,15S,21S,24S,27S)-21-benzyl-24-[(2S)-butan-2-yl]-3-(2-methylpropyl)-12-propan-2-yl-1,4,10,13,19,22,25-heptazatetracyclo[25.3.0.06,10.015,19]triacontane-2,5,11,14,20,23,26-heptone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C41H61N7O7/c1-7-26(6)34-38(52)43-29(23-27-14-9-8-10-15-27)40(54)47-20-11-17-31(47)36(50)44-33(25(4)5)41(55)48-21-13-16-30(48)35(49)42-28(22-24(2)3)39(53)46-19-12-18-32(46)37(51)45-34/h8-10,14-15,24-26,28-34H,7,11-13,16-23H2,1-6H3,(H,42,49)(H,43,52)(H,44,50)(H,45,51)/t26-,28-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKey: MRHPZOQSYDFOLJ-KQBMMHAASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prosuberites laughlini | Prosuberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 763.981
TPSA？: 191.29
MolLogP？: 5.264300000000008
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|