Schumannificine; 7'-Deoxy, 3',7'-didehydro

AlkaPlorer ID: AK313100

Synonym: Anhydroschumannificine

IUPAC Name: 8-hydroxy-4-methyl-3,11-dioxa-15-azatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),2(7),4,8,12-pentaene-6,14-dione

Structure

SMILES: CC1=CC(=O)C2=C(O)C=C3OC=C4C(O)=NCCC4C3=C2O1

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InChI: InChI=1S/C16H13NO5/c1-7-4-10(18)14-11(19)5-12-13(15(14)22-7)8-2-3-17-16(20)9(8)6-21-12/h4-6,8,19H,2-3H2,1H3,(H,17,20)

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InChIKey: OAQHRJFPPJOCJD-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 299.28200000000004

TPSA: 92.26

MolLogP: 2.527120000000001

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information