MBP 049-13
AlkaPlorer ID: AK305387
Synonym: None
IUPAC Name: 3-[(2-but-2-en-2-yl-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-hydroxymethylidene]-1-methyl-5-propan-2-ylpyrrolidine-2,4-dione
Structure
SMILES: CC=C(C)C1C(C)=CC2CCCC(C)C2C1C(=O)C1=C(O)C(C(C)C)N(C)C1=O
InChI: InChI=1S/C25H37NO3/c1-8-14(4)18-16(6)12-17-11-9-10-15(5)19(17)20(18)23(27)21-24(28)22(13(2)3)26(7)25(21)29/h8,12-13,15,17-20,22,28H,9-11H2,1-7H3
InChIKey: LDIHNQQBFXHSKD-UHFFFAOYSA-N
Reference
COCONUT: CNP0316102.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Ophiobolus | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 399.5750000000001
TPSA？: 57.61
MolLogP？: 5.075100000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|