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(Q77377731)
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14-methoxytajixanthone
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
8-[(3,3-dimethyloxiran-2-yl)-methoxymethyl]-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
1 reference
based on heuristic
inferred from SMILES
mass
452.183503236
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
14-Methoxytajixanthone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2R)-8-[(S)-[(2S)-3,3-dimethyloxiran-2-yl]-methoxymethyl]-1,11-dihydroxy-5-methyl-2-prop-1-en-2-yl-2,3-dihydro-1H-pyrano[3,2-a]xanthen-12-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₆H₂₈O₇
0 references
canonical SMILES
O=C1C=2C(O)=CC=C(C2OC=3C=C(C=4OCC(C(=C)C)C(O)C4C13)C)C(OC)C5OC5(C)C
0 references
isomeric SMILES
CC1=CC2=C(C3=C1OC[C@@H]([C@H]3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)[C@H]([C@H]5C(O5)(C)C)OC)O
0 references
found in taxon
Aspergillus rugulosus
1 reference
stated in
Prenylxanthones and a bicyclo[3.3.1]nona-2,6-diene derivative from the fungus Emericella rugulosa.
Identifiers
InChI
InChI=1S/C26H28O7/c1-11(2)14-10-31-22-12(3)9-16-18(19(22)20(14)28)21(29)17-15(27)8-7-13(23(17)32-16)24(30-6)25-26(4,5)33-25/h7-9,14,20,24-25,27-28H,1,10H2,2-6H3/t14-,20-,24-,25+/m1/s1
0 references
InChIKey
GHOFXWXPHPERFR-STNPQBARSA-N
2 references
stated in
PubChem
PubChem CID
44255150
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
44255150
language of work or name
English
PubChem CID
44255150
2 references
stated in
PubChem
PubChem CID
44255150
language of work or name
English
matched by identifier from
InChIKey
InChIKey
GHOFXWXPHPERFR-STNPQBARSA-N
ChEBI ID
203440
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H28O7/c1-11(2)14-10-31-22-12(3)9-16-18(19(22)20(14)28)21(29)17-15(27)8-7-13(23(17)32-16)24(30-6)25-26(4,5)33-25/h7-9,14,20,24-25,27-28H,1,10H2,2-6H3/t14-,20-,24-,25+/m1/s1
UniChem compound ID
529574
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA006395
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GHOFXWXPHPERFR-STNPQBARSA-N
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