Bispyrrocidine
AlkaPlorer ID: AK290758
Synonym: None
IUPAC Name: 6,43-bis(ethenyl)-26-hydroxy-8,10,12,14,35,37,39,41-octamethyl-17,24,32-trioxa-47,51-diazatridecacyclo[24.19.2.23,23.218,21.228,31.15,9.133,40.01,25.02,23.010,15.034,39.016,55.044,48]pentapentaconta-7,18(54),19,21(53),28(50),29,31(49),41-octaene-4,45,46,52-tetrone
Structure
SMILES: C=CC1C=C(C)C2C3C(OC4=CC=C(C=C4)CC45NC(=O)C(C(=O)C13)C4C13C(=O)NC(O)(CC4=CC=C(C=C4)OC4C6C(C1=O)C(C=C)C=C(C)C6C1(C)CC(C)CC(C)C41)C3O5)C1C(C)CC(C)CC21C
InChI: InChI=1S/C62H74N2O8/c1-11-37-23-33(7)46-43-41(37)50(65)45-53-61(63-55(45)67,28-36-15-19-40(20-16-36)70-51(43)48-31(5)21-29(3)25-58(46,48)9)72-56-60(69)27-35-13-17-39(18-14-35)71-52-44-42(54(66)62(53,56)57(68)64-60)38(12-2)24-34(8)47(44)59(10)26-30(4)22-32(6)49(52)59/h11-20,23-24,29-32,37-38,41-49,51-53,56,69H,1-2,21-22,25-28H2,3-10H3,(H,63,67)(H,64,68)
InChIKey: USIOTJYGSCEEAY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Neonectria | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 975.2799999999996
TPSA？: 140.26
MolLogP？: 9.019700000000002
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 15
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|