Molecule

Sclerotioramine

AlkaPlorer ID: AK313118

Synonym: 7-(Acetyloxy)-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7-methyl-6,8(2H,7H)-isoquinolinedione, Sclerotiolamine, Sclerotiorinamine

IUPAC Name: [5-chloro-3-(3,5-dimethylhepta-1,3-dienyl)-6-hydroxy-7-methyl-8-oxoisoquinolin-7-yl] acetate

SMILES: CCC(C)C=C(C)C=CC1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1

InChI: InChI=1S/C21H24ClNO4/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-23-15)19(25)21(5,27-14(4)24)20(26)18(16)22/h7-12,23H,6H2,1-5H3

InChIKey: DOUKEKLEUAGITQ-UHFFFAOYSA-N

LOTUS: LTS0243877

COCONUT: CNP0145678.8

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium citreonigrum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Penicillium sp. zj-27	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Penicillium sclerotiorum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Diaporthe sp.	Diaporthe	Diaporthaceae	Diaporthales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Molecule Weight: 389.8790000000001

TPSA？: 72.47

MolLogP？: 3.872500000000003

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi