Fumitremorgin B; 13-O-(3-Methyl-2-butenyl)
AlkaPlorer ID: AK298815
Synonym: 13-O-Prenylfumitremorgin B
IUPAC Name: 1-hydroxy-7-methoxy-2-(3-methylbut-2-enoxy)-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-14,20-dione
Structure
SMILES: COC1=CC=C2C3=C(C(C=C(C)C)N4C(=O)C5CCCN5C(=O)C4(O)C3OCC=C(C)C)N(CC=C(C)C)C2=C1
InChI: InChI=1S/C32H41N3O5/c1-19(2)12-15-33-25-18-22(39-7)10-11-23(25)27-28(33)26(17-21(5)6)35-30(36)24-9-8-14-34(24)31(37)32(35,38)29(27)40-16-13-20(3)4/h10-13,17-18,24,26,29,38H,8-9,14-16H2,1-7H3
InChIKey: GCQRMAWIXNXDSJ-UHFFFAOYSA-N
Reference
PubChem CID: 156023515
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus sp. B31 | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 547.6960000000004
TPSA？: 84.24000000000001
MolLogP？: 5.182700000000006
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|