Epicoccin U

AlkaPlorer ID: AK153236

Synonym: None

IUPAC Name: (1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-5,6,16-trihydroxy-15-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone

Structure

SMILES: CO[C@@H]1[C@@H]2[C@@H](C[C@@]34SS[C@]5(C[C@H]6C(=O)C[C@H](O)[C@H](O)[C@H]6N5C3=O)C(=O)N24)C(=O)C[C@@H]1O

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InChI: InChI=1S/C19H22N2O8S2/c1-29-15-11(25)3-9(23)7-5-19-16(27)20-12-6(8(22)2-10(24)14(12)26)4-18(20,30-31-19)17(28)21(19)13(7)15/h6-7,10-15,24-26H,2-5H2,1H3/t6-,7-,10-,11-,12-,13-,14-,15-,18+,19+/m0/s1

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InChIKey: WHCJAHUVMGPUOK-NCRURJJJSA-N

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Source

Properties Information

Molecule Weight: 470.5250000000002

TPSA: 144.67999999999998

MolLogP: -1.7348999999999986

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information