Nobilisitine A

AlkaPlorer ID: AK009292

Synonym: '', 'nobilisitine A', 'Nobilisitine A', 'Clivonine'

IUPAC Name: (2S,3R,7R,9S,10R)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-12-one

Structure

SMILES: CN1CC[C@@H]2C[C@H](O)[C@@H]3OC(=O)C4=CC5=C(C=C4[C@H]3[C@@H]21)OCO5

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InChI: InChI=1S/C17H19NO5/c1-18-3-2-8-4-11(19)16-14(15(8)18)9-5-12-13(22-7-21-12)6-10(9)17(20)23-16/h5-6,8,11,14-16,19H,2-4,7H2,1H3/t8-,11+,14+,15-,16+/m1/s1

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InChIKey: ATGABXDKTMWXAQ-GIFBOUKESA-N

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Properties Information

Molecule Weight: 317.34100000000007

TPSA: 68.23

MolLogP: 1.1228

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterovirus C Enterovirus C pTCD50 1.0 None 10.1021/np50023a009
Enterovirus C Enterovirus C pTCD50 10.0 None 10.1021/np50023a009
Measles morbillivirus Measles morbillivirus pTCD50 1.0 None 10.1021/np50023a009
Semliki Forest virus Semliki Forest virus pTCD50 1.0 None 10.1021/np50023a009
Semliki Forest virus Semliki Forest virus pTCD50 10.0 None 10.1021/np50023a009
Simplexvirus Simplexvirus pTCD50 1.0 None 10.1021/np50023a009
Simplexvirus Simplexvirus pTCD50 10.0 None 10.1021/np50023a009

Metabolism Information