8-O-desmethylanthrotainin

AlkaPlorer ID: AK091024

Synonym: None

IUPAC Name: (4aR,12aR)-1,4a,8,10,11,12a-hexahydroxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide

Structure

SMILES: N=C(O)C1=C(O)[C@@]2(O)C(=O)C3=C(O)C4=C(O)C=C(O)C=C4C=C3C[C@@]2(O)CC1=O

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InChI: InChI=1S/C19H15NO9/c20-17(27)13-10(23)5-18(28)4-7-1-6-2-8(21)3-9(22)11(6)14(24)12(7)15(25)19(18,29)16(13)26/h1-3,21-22,24,26,28-29H,4-5H2,(H2,20,27)/t18-,19+/m1/s1

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InChIKey: XZMHEWSQIGGCKG-MOPGFXCFSA-N

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Source

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

Properties Information

Molecule Weight: 401.32700000000017

TPSA: 199.6

MolLogP: 0.47777

Number of H-Donors: 8

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information