Tryptoquivaline
AlkaPlorer ID: AK020839
Synonym: 'Tryptoquivaline', 'Tryptoquivaline A', 'FTC', '27-epi-tryptoquivaline', 'MLS000863642', 'MLSMR', "Tryptoquivaline C'", 'SMR000440710'
IUPAC Name: [(1R)-1-[3-[(3'S,3aR,4R)-3-hydroxy-2,2-dimethyl-1,2'-dioxospiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate
Structure
SMILES: CC(=O)O[C@@H](C1=NC2=CC=CC=C2C(=O)N1[C@H]1C[C@@]2(OC1=O)C1=CC=CC=C1N1C(=O)C(C)(C)N(O)[C@@H]12)C(C)C
InChI: InChI=1S/C29H30N4O7/c1-15(2)22(39-16(3)34)23-30-19-12-8-6-10-17(19)24(35)31(23)21-14-29(40-25(21)36)18-11-7-9-13-20(18)32-26(29)33(38)28(4,5)27(32)37/h6-13,15,21-22,26,38H,14H2,1-5H3/t21-,22+,26+,29+/m0/s1
InChIKey: CYNVLFGDEQQUPE-YPMWMNAPSA-N
Reference
Tryptoquivaline and tryptoquivalone, two tremorgenic metabolites of Aspergillus clavatus
PubChem CID: 139266809
LOTUS: LTS0171873
SuperNatural Ⅲ: SN0059040-10
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus clavatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 546.5800000000003
TPSA？: 131.27
MolLogP？: 3.1963000000000017
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|