Fumitremorgin B; 13-Ketone
AlkaPlorer ID: AK298814
Synonym: 13-Oxofumitremorgin B
IUPAC Name: 1-hydroxy-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-2,14,20-trione
Structure
SMILES: COC1=CC=C2C3=C(C(C=C(C)C)N4C(=O)C5CCCN5C(=O)C4(O)C3=O)N(CC=C(C)C)C2=C1
InChI: InChI=1S/C27H31N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,34H,6-7,11-12H2,1-5H3
InChIKey: PKXCLEPXRNTYPU-UHFFFAOYSA-N
Reference
Immunosuppressive constituents from an Ascomycete, Sordaria gondaensis
PubChem CID: 162924333
LOTUS: LTS0237650
COCONUT: CNP0193972.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Sordaria | Sordariaceae | Sordariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 477.5610000000003
TPSA？: 92.08
MolLogP？: 3.3415000000000017
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|