Neopestalotin D
AlkaPlorer ID: AK307601
Synonym: None
IUPAC Name: [5-[hydroxy-[5-(1-hydroxyethyl)-2,4-dioxopyrrolidin-3-ylidene]methyl]-5,7-dimethyl-6-prop-1-enyl-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-2-yl]methyl acetate
Structure
SMILES: CC=CC1C(C)=CC2CC(COC(C)=O)CCC2C1(C)C(=O)C1=C(O)C(C(C)O)NC1=O
InChI: InChI=1S/C25H35NO6/c1-6-7-18-13(2)10-17-11-16(12-32-15(4)28)8-9-19(17)25(18,5)23(30)20-22(29)21(14(3)27)26-24(20)31/h6-7,10,14,16-19,21,27,29H,8-9,11-12H2,1-5H3,(H,26,31)
InChIKey: DLJDSAPJFVRAPU-UHFFFAOYSA-N
Reference
CAS: 1897444-58-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopestalotiopsis sp. | Neopestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 445.55600000000015
TPSA？: 112.93
MolLogP？: 3.000900000000001
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|