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(Q77369751)
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English
(-)-4,6'-anhydrooxysporidinone
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
4-[6-(4,6-Dimethyloct-2-en-2-yl)-5-methyloxan-2-yl]-9a-hydroxy-2-methyl-5a,6,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine-3,7-dione
1 reference
based on heuristic
inferred from SMILES
mass
471.298473412
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(5aR,9aS)-4-[(2S,5R,6R)-6-[(E,4R,6S)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-9a-hydroxy-2-methyl-5a,6,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine-3,7-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(5aR,9aS)-4-[(2S,5R,6R)-6-[(E,4S,6R)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-9a-hydroxy-2-methyl-5a,6,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine-3,7-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₈H₄₁NO₅
0 references
canonical SMILES
O=C1C(=C2OC3CC(=O)CCC3(O)C2=CN1C)C4OC(C(=CC(C)CC(C)CC)C)C(C)CC4
0 references
isomeric SMILES
CCC(C)CC(C)/C=C(\C)[C@@H]1O[C@H](c2c3c(cn(C)c2=O)[C@@]2(O)CCC(=O)C[C@H]2O3)CC[C@H]1C
0 references
found in taxon
Fusarium oxysporum
1 reference
stated in
Search for cell motility and angiogenesis inhibitors with potential anticancer activity: beauvericin and other constituents of two endophytic strains of Fusarium oxysporum
Identifiers
InChI
InChI=1S/C28H41NO5/c1-7-16(2)12-17(3)13-19(5)25-18(4)8-9-22(33-25)24-26-21(15-29(6)27(24)31)28(32)11-10-20(30)14-23(28)34-26/h13,15-18,22-23,25,32H,7-12,14H2,1-6H3/b19-13+/t16?,17?,18-,22+,23-,25-,28+/m1/s1
0 references
InChIKey
HIEAPHJQEBHMLL-YKXVSDKYSA-N
2 references
stated in
PubChem
PubChem CID
16109804
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
16109804
language of work or name
English
PubChem CID
16109804
1 reference
stated in
PubChem
PubChem CID
16109804
language of work or name
English
ChEBI ID
202190
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H41NO5/c1-7-16(2)12-17(3)13-19(5)25-18(4)8-9-22(33-25)24-26-21(15-29(6)27(24)31)28(32)11-10-20(30)14-23(28)34-26/h13,15-18,22-23,25,32H,7-12,14H2,1-6H3/b19-13+/t16?,17?,18-,22+,23-,25-,28+/m1/s1
UniChem compound ID
34271052
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004947
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HIEAPHJQEBHMLL-YKXVSDKYSA-N
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