Nocardiopsin B; 28-Ketone

AlkaPlorer ID: AK308010

Synonym: Nocardiopsin A

IUPAC Name: 4-(1-hydroxy-3-oxopentyl)-2,4,18,20-tetramethyl-5,27-dioxa-12-azatricyclo[22.2.1.07,12]heptacosa-14,20-diene-6,13,19-trione

Structure

SMILES: CCC(=O)CC(O)C1(C)CC(C)C2CCC(CCC=C(C)C(=O)C(C)CCC=CC(=O)N3CCCCC3C(=O)O1)O2

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InChI: InChI=1S/C33H51NO7/c1-6-25(35)20-29(36)33(5)21-24(4)28-18-17-26(40-28)14-11-13-23(3)31(38)22(2)12-7-8-16-30(37)34-19-10-9-15-27(34)32(39)41-33/h8,13,16,22,24,26-29,36H,6-7,9-12,14-15,17-21H2,1-5H3

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InChIKey: UMKYPSRHNFTVJD-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 573.7710000000004

TPSA: 110.21

MolLogP: 5.255000000000006

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information