Homocereulide
AlkaPlorer ID: AK055226
Synonym: None
IUPAC Name: 12-[(2S)-butan-2-yl]-3,15,27-trimethyl-6,18,30-tris(2-methylpropyl)-9,21,24,33,36-penta(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
Structure
SMILES: CC[C@H](C)C1OC(=O)C(C)N=C(O)C(CC(C)C)OC(=O)C(C(C)C)N=C(O)C(C(C)C)OC(=O)C(C)N=C(O)C(CC(C)C)OC(=O)C(C(C)C)N=C(O)C(C(C)C)OC(=O)C(C)N=C(O)C(CC(C)C)OC(=O)C(C(C)C)N=C1O
InChI: InChI=1S/C58H98N6O18/c1-22-34(18)46-52(70)64-43(31(12)13)58(76)79-39(24-27(4)5)48(66)60-36(20)54(72)81-44(32(14)15)50(68)62-41(29(8)9)56(74)77-38(23-26(2)3)47(65)59-35(19)53(71)80-45(33(16)17)51(69)63-42(30(10)11)57(75)78-40(25-28(6)7)49(67)61-37(21)55(73)82-46/h26-46H,22-25H2,1-21H3,(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t34-,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?/m0/s1
InChIKey: CFCIXEUIPLBOOH-SORGKVSXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cereus | Sagartiidae | Actiniaria | Anthozoa | Cnidaria | Metazoa | Eukaryota |
| None | Cereus | Sagartiidae | Actiniaria | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1167.4459999999997
TPSA？: 353.34000000000003
MolLogP？: 8.945500000000008
Number of H-Donors: 6
Number of H-Acceptors: 18
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|