13-O-prenyl-26-hydroxyverruculogen
AlkaPlorer ID: AK086602
Synonym: None
IUPAC Name: (9R,13S,14R,17S,23R,24S)-13,23-dihydroxy-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=C4[C@H]([C@H](O)C(C)(C)OO[C@H](C=C(C)C)N4C2=C1)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C
InChI: InChI=1S/C32H41N3O8/c1-17(2)12-14-41-28-24-20-11-10-19(40-7)16-22(20)34-23(15-18(3)4)42-43-31(5,6)27(36)26(25(24)34)35-29(37)21-9-8-13-33(21)30(38)32(28,35)39/h10-12,15-16,21,23,26-28,36,39H,8-9,13-14H2,1-7H3/t21-,23+,26+,27-,28-,32+/m0/s1
InChIKey: PQHVXIYRRCWHND-MNPVNPTDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium brefeldianum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 595.6930000000002
TPSA？: 122.93
MolLogP？: 3.8164000000000025
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|