Fumitremorgin B
AlkaPlorer ID: AK010064
Synonym: '', '12626-17-4', 'Fumitremorgin B'
IUPAC Name: (1R,2R,12R,15R)-1,2-dihydroxy-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-14,20-dione
Structure
SMILES: COC1=CC=C2C3=C([C@@H](C=C(C)C)N4C(=O)[C@H]5CCCN5C(=O)[C@]4(O)[C@@H]3O)N(CC=C(C)C)C2=C1
InChI: InChI=1S/C27H33N3O5/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/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3/t19-,21-,24-,27-/m1/s1
InChIKey: WEIYXEFMCIRZHC-KFXDNTNKSA-N
Reference
The structure of fumitremorgin B (FTB), a tremorgenic toxin from Aspergillus fumigatus Fres
PubChem CID: 162987268
LOTUS: LTS0185962
SuperNatural Ⅲ: SN0408004-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 479.5770000000003
TPSA？: 95.24
MolLogP？: 3.192200000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|