Molecule

Myceliothermophin A; 5'-Deoxy, 5',6'-didehydro

AlkaPlorer ID: AK307124

Synonym: Myceliothermophin E

IUPAC Name: 3-(2-but-2-en-2-yl-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl)-5-(2-methylpropylidene)pyrrol-2-one

Structure

SMILES: CC=C(C)C1C(C)=CC2(C)CC(C)CCC2C1C(=O)C1=CC(=CC(C)C)N=C1O

InChI: InChI=1S/C26H37NO2/c1-8-17(5)22-18(6)14-26(7)13-16(4)9-10-21(26)23(22)24(28)20-12-19(11-15(2)3)27-25(20)29/h8,11-12,14-16,21-23H,9-10,13H2,1-7H3,(H,27,29)

InChIKey: TXVWNUBEANXHMB-UHFFFAOYSA-N

Reference

Cytotoxic Polyketides Containing Tetramic Acid Moieties Isolated from the Fungus <i>Myceliophthora Thermophila</i>: Elucidation of the Relationship between Cytotoxicity and Stereoconfiguration

PubChem CID: 74072395

LOTUS: LTS0141088

COCONUT: CNP0176447.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Myceliophthora	Chaetomiaceae	Sordariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 395.5870000000001

TPSA？: 49.66

MolLogP？: 6.592900000000007

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi