Verruculogen; 13-O-(3-Methyl-2-butenyl)
AlkaPlorer ID: AK317540
Synonym: Fumitremorgin A
IUPAC Name: 23-hydroxy-5-methoxy-12,12-dimethyl-24-(3-methylbut-2-enoxy)-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
Structure
SMILES: COC1=CC=C2C3=C4C(CC(C)(C)OOC(C=C(C)C)N4C2=C1)N1C(=O)C2CCCN2C(=O)C1(O)C3OCC=C(C)C
InChI: InChI=1S/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3
InChIKey: ACGHJVZDNQZJOV-UHFFFAOYSA-N
Reference
Chemistry of tremorogenic metabolites. I. Fumitremorgin a from Aspergillus fumigatus.
PubChem CID: 14654100
CAS: 12626-18-5
LOTUS: LTS0138772
COCONUT: CNP0228189.2
Source
Properties Information
Molecule Weight: 579.6940000000002
TPSA？: 102.70000000000002
MolLogP？: 4.845600000000005
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|