Hymenosetin; 6'-Deoxy, 6R-hydroxy, 5',6'-didehydro(Z-)
AlkaPlorer ID: AK302184
Synonym: Neopestalotin A
IUPAC Name: 5-ethylidene-4-hydroxy-3-(6-hydroxy-1,3,6-trimethyl-2-prop-1-enyl-2,4a,5,7,8,8a-hexahydronaphthalene-1-carbonyl)pyrrol-2-one
Structure
SMILES: CC=CC1C(C)=CC2CC(C)(O)CCC2C1(C)C(=O)C1=C(O)C(=CC)N=C1O
InChI: InChI=1S/C23H31NO4/c1-6-8-15-13(3)11-14-12-22(4,28)10-9-16(14)23(15,5)20(26)18-19(25)17(7-2)24-21(18)27/h6-8,11,14-16,25,28H,9-10,12H2,1-5H3,(H,24,27)
InChIKey: KGDKEXQNSMWPCR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopestalotiopsis sp. | Neopestalotiopsis | Sporocadaceae | Xylariales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 385.5040000000001
TPSA？: 90.12
MolLogP？: 4.567300000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|