Verruculogen; 12-Epimer, 13-Me ether
AlkaPlorer ID: AK317534
Synonym: 12-Epi-13-O-methylverruculogen, 13-O-Methyl-12-epiverruculogen, 12β-Hydroxy-13α-methoxyverruculogen (incorr.)
IUPAC Name: 23-hydroxy-5,24-dimethoxy-12,12-dimethyl-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)C3OC
InChI: InChI=1S/C28H35N3O7/c1-15(2)12-21-30-19-13-16(35-5)9-10-17(19)22-23(30)20(14-27(3,4)38-37-21)31-25(32)18-8-7-11-29(18)26(33)28(31,34)24(22)36-6/h9-10,12-13,18,20-21,24,34H,7-8,11,14H2,1-6H3
InChIKey: CGNTVLXZFURCER-UHFFFAOYSA-N
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: 525.6020000000003
TPSA？: 102.70000000000002
MolLogP？: 3.5092000000000017
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|