Pyrrocidine B; 17,18-Didehydro, 17α,18α-epoxide
AlkaPlorer ID: AK311942
Synonym: 17,18-Epoxypyrrocidine B
IUPAC Name: 4-ethenyl-21-hydroxy-6,8,10,12-tetramethyl-15,23-dioxa-25-azaheptacyclo[19.2.2.216,19.13,7.01,22.08,13.014,28]octacosa-5,16(27),17,19(26)-tetraene-2,24-dione
Structure
SMILES: C=CC1C=C(C)C2C3C(OC4=CC=C(C=C4)CC4(O)NC(=O)C5(OC45)C(=O)C13)C1C(C)CC(C)CC21C
InChI: InChI=1S/C31H37NO5/c1-6-19-12-17(4)23-22-21(19)26(33)31-27(37-31)30(35,32-28(31)34)14-18-7-9-20(10-8-18)36-25(22)24-16(3)11-15(2)13-29(23,24)5/h6-10,12,15-16,19,21-25,27,35H,1,11,13-14H2,2-5H3,(H,32,34)
InChIKey: VRBMSPMIYHBFDQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Neonectria | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 503.6390000000003
TPSA？: 88.16
MolLogP？: 3.828000000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|