Molecule

Myceliothermophin B

AlkaPlorer ID: AK064938

Synonym: None

IUPAC Name: (5S)-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-hydroxy-5-(2-methylpropyl)-1H-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@@](O)(CC(C)C)N=C1O

InChI: InChI=1S/C26H39NO3/c1-8-17(5)21-18(6)13-25(7)12-16(4)9-10-20(25)22(21)23(28)19-14-26(30,11-15(2)3)27-24(19)29/h8,13-16,20-22,30H,9-12H2,1-7H3,(H,27,29)/b17-8+/t16-,20+,21-,22+,25+,26-/m0/s1

InChIKey: DNVVVGHIEYBFCF-MIXRSTDOSA-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: 23629537

LOTUS: LTS0261158

{

NPAtlas: NPA013566

Source

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

Properties Information

Molecule Weight: 413.60200000000015

TPSA？: 69.89

MolLogP？: 5.787700000000006

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi