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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK544033

Synonym: None

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

Structure

SMILES: COC1=CC(O)=C2C(O)=C3C(=O)[C@]4(O)C(=O)C(C(=N)O)=C(O)C[C@]4(O)[C@@H](O)C3=CC2=C1

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InChI: InChI=1S/C20H17NO10/c1-31-7-2-6-3-8-12(14(24)11(6)9(22)4-7)16(26)20(30)17(27)13(18(21)28)10(23)5-19(20,29)15(8)25/h2-4,15,22-25,29-30H,5H2,1H3,(H2,21,28)/t15-,19-,20-/m0/s1

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InChIKey: VAJSPRHHGMWTDK-YSSFQJQWSA-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: 431.3530000000001

TPSA？: 208.83

MolLogP？: 0.2716699999999999

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005097 CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.COc1cc(O)c2c(O)c3c(cc2c1)[C@H](O)[C@@]1(O)CC(O)=C(C(N)=O)C(=O)[C@@]1(O)C3=O>>COc1cc(O)c2c(O)c3c(c(C/C=C(\C)CCC=C(C)C)c2c1)[C@H](O)[C@@]1(O)CC(O)=C(C(N)=O)C(=O)[C@@]1(O)C3=O RXN-16582
AKRT014628 C[SAH].NC(=O)C1=C(O)C[C@]2(O)[C@@H](O)c3cc4cc(O)cc(O)c4c(O)c3C(=O)[C@]2(O)C1=O>>COc1cc(O)c2c(O)c3c(cc2c1)[C@H](O)[C@@]1(O)CC(O)=C(C(N)=O)C(=O)[C@@]1(O)C3=O RXN-16581