Pyrrocidine B; 17,18-Didehydro
AlkaPlorer ID: AK311941
Synonym: Pyrrocidine A
IUPAC Name: 13-ethenyl-19-hydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(23),11,16(26),21,24-pentaene-15,17-dione
Structure
SMILES: C=CC1C=C(C)C2C3C(OC4=CC=C(C=C4)CC4(O)C=C(C(=O)C13)C(O)=N4)C1C(C)CC(C)CC21C
InChI: InChI=1S/C31H37NO4/c1-6-20-12-18(4)25-24-23(20)27(33)22-15-31(35,32-29(22)34)14-19-7-9-21(10-8-19)36-28(24)26-17(3)11-16(2)13-30(25,26)5/h6-10,12,15-17,20,23-26,28,35H,1,11,13-14H2,2-5H3,(H,32,34)
InChIKey: KXMGXXHZDLJDBH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Neonectria | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | None | None | None | None | None | Fungi | Eukaryota |
| None | Acremonium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | None | None | None | None | None | Fungi | Eukaryota |
Properties Information
Molecule Weight: 487.6400000000002
TPSA？: 79.12
MolLogP？: 5.457100000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|