Pyrenosetin D
AlkaPlorer ID: AK327562
Synonym: None
IUPAC Name: (1S,2R,3S,5S,6R,9S,11R,12S,15S,17R)-5-hydroxy-6-(hydroxymethyl)-7,11,15,19-tetramethyl-3-(2-oxopropyl)-4-oxa-7-azapentacyclo[9.8.0.02,9.05,9.012,17]nonadec-18-ene-8,10-dione
Structure
SMILES: CC(=O)C[C@@H]1O[C@]2(O)[C@@H](CO)N(C)C(=O)[C@@]23C(=O)[C@@]2(C)[C@H](C(C)=C[C@H]4C[C@@H](C)CC[C@@H]42)[C@@H]13
InChI: InChI=1S/C25H35NO6/c1-12-6-7-16-15(8-12)9-13(2)19-20-17(10-14(3)28)32-25(31)18(11-27)26(5)22(30)24(20,25)21(29)23(16,19)4/h9,12,15-20,27,31H,6-8,10-11H2,1-5H3/t12-,15+,16-,17-,18+,19+,20+,23+,24+,25+/m0/s1
InChIKey: VGSLZTMSEGAQSR-AOIDCAQBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pyrenochaetopsis sp. | Pyrenochaetopsis | Pyrenochaetopsidaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 445.55600000000027
TPSA？: 104.14
MolLogP？: 1.705899999999999
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|