12E-dechloroisorumbrin

AlkaPlorer ID: AK043878

Synonym: '', '12E-dechloroisorumbrin', '12E-Dechloroisorumbrin'

IUPAC Name: 4-methoxy-3-methyl-6-[9-(1H-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]pyran-2-one

Structure

SMILES: COC1=C(C)C(=O)OC(C(C)=CC=CC=CC=CC2=CC=CN2)=C1

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InChI: InChI=1S/C20H21NO3/c1-15(18-14-19(23-3)16(2)20(22)24-18)10-7-5-4-6-8-11-17-12-9-13-21-17/h4-14,21H,1-3H3

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InChIKey: RDIURKHAMYGJAX-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Gymnoascus reessii Gymnoascus Gymnoascaceae Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 323.39200000000005

TPSA: 55.23

MolLogP: 4.514020000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information