Molecule

Myceliothermophin E

AlkaPlorer ID: AK064958

Synonym: None

IUPAC Name: (5Z)-3-[(1R,2S,4aS,6S,8aR)-2-[(E)-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: C/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1=C/C(=C/C(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)/b17-8+,19-11-/t16-,21+,22-,23+,26+/m0/s1

InChIKey: TXVWNUBEANXHMB-HHBHXJOWSA-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: 23629538

LOTUS: LTS0194609

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NPAtlas: NPA008258

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