Molecule

Phenalenone derivative

AlkaPlorer ID: AK007571

Synonym: None

IUPAC Name: (9R)-3,7-dihydroxy-1,8,8,9-tetramethyl-5-[[(9R)-3,4,7-trihydroxy-1,8,8,9-tetramethyl-6-oxo-9H-phenaleno[1,2-b]furan-5-yl]imino]-9H-phenaleno[1,2-b]furan-4,6-dione

Structure

SMILES: CC1=CC(O)=C2C(=O)C(=NC3=C(O)C4=C(O)C=C(C)C5=C6O[C@H](C)C(C)(C)C6=C(O)C(=C45)C3=O)C(=O)C3=C(O)C4=C(O[C@H](C)C4(C)C)C1=C23

InChI: InChI=1S/C38H33NO10/c1-11-9-15(40)19-21-17(11)35-25(37(5,6)13(3)48-35)29(42)23(21)33(46)27(31(19)44)39-28-32(45)20-16(41)10-12(2)18-22(20)24(34(28)47)30(43)26-36(18)49-14(4)38(26,7)8/h9-10,13-14,40-44H,1-8H3/t13-,14-/m1/s1

InChIKey: ZPCCYCCUZATFOS-ZIAGYGMSSA-N

Reference

Metabolites produced by the Scleroderris canker fungus, <i>Gremmeniella</i><i>abietina</i>. Part 3. Some further metabolites

PubChem CID: 136825050

LOTUS: LTS0231671

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NPAtlas: NPA010088

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium herquei	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 663.6790000000002

TPSA？: 183.18

MolLogP？: 6.492340000000007

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi