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(Q77572887)
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Dankasterone A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
14-(5,6-Dimethylhept-3-en-2-yl)-9,13-dimethyltetracyclo[8.7.0.01,13.04,9]heptadec-4-ene-3,6,17-trione
1 reference
based on heuristic
inferred from SMILES
mass
424.29774514
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Dankasterone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,9R,10R,13R,14R)-14-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-9,13-dimethyltetracyclo[8.7.0.01,13.04,9]heptadec-4-ene-3,6,17-trione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₄₀O₃
0 references
canonical SMILES
O=C1C=C2C(=O)CC34C(=O)CCC(C(C=CC(C)C(C)C)C)C4(C)CCC3C2(C)CC1
0 references
isomeric SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC(=O)[C@@]23[C@@]1(CC[C@@H]2[C@]4(CCC(=O)C=C4C(=O)C3)C)C
0 references
found in taxon
Arachniotus dankaliensis
2 references
stated in
Variation in cytostatic constituents of a sponge-derived Gymnascella dankaliensis by manipulating the carbon source
stated in
Variation in cytostatic constituents of a sponge-derived Gymnascella dankaliensis by manipulating the carbon source
Identifiers
InChI
InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)21-9-10-25(31)28-16-23(30)22-15-20(29)11-13-26(22,5)24(28)12-14-27(21,28)6/h7-8,15,17-19,21,24H,9-14,16H2,1-6H3/b8-7+/t18-,19+,21+,24+,26-,27+,28-/m0/s1
0 references
InChIKey
MHVQURVXZWOWCF-VODCKUOWSA-N
2 references
stated in
PubChem
PubChem CID
24179112
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
24179112
language of work or name
English
PubChem CID
24179112
2 references
stated in
PubChem
PubChem CID
24179112
language of work or name
English
matched by identifier from
InChIKey
InChIKey
MHVQURVXZWOWCF-VODCKUOWSA-N
ChEBI ID
223658
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)21-9-10-25(31)28-16-23(30)22-15-20(29)11-13-26(22,5)24(28)12-14-27(21,28)6/h7-8,15,17-19,21,24H,9-14,16H2,1-6H3/b8-7+/t18-,19+,21+,24+,26-,27+,28-/m0/s1
UniChem compound ID
341952
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016657
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MHVQURVXZWOWCF-VODCKUOWSA-N
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