Molecule

Scopuquinolone B

AlkaPlorer ID: AK065605

Synonym: None

IUPAC Name: (3S,4S)-4,5-dihydroxy-6-[(E)-2-[(1R,3S,4S)-4-hydroxy-1,3-dimethylcyclohexyl]ethenyl]-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

Structure

SMILES: CO[C@@H]1C(O)=NC2=CC=C(/C=C/[C@]3(C)CC[C@H](O)[C@@H](C)C3)C(O)=C2[C@@]1(O)C1=CC=CC=C1

InChI: InChI=1S/C26H31NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,20,23,28-29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,20-,23+,25+,26-/m0/s1

InChIKey: VHCOEFMALBJZLE-JTYNPPSSSA-N

Reference

Scopuquinolone B, a new monoterpenoid dihydroquinolin-2(1<i>H</i>)-one isolated from the coral-derived <i>Scopulariopsis</i> sp. fungus

PubChem CID: 134222698

LOTUS: LTS0070481

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NPAtlas: NPA024568

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Scopulariopsis sp.	Scopulariopsis	Microascaceae	Microascales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 437.5360000000002

TPSA？: 102.51

MolLogP？: 4.4451000000000045

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi