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(Q77573749)
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12-hydroxytauranin
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-hydroxy-5-(hydroxymethyl)-2-[[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
1 reference
based on heuristic
inferred from SMILES
mass
374.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[[(1S,4aR,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-3-hydroxy-5-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₀O₅
0 references
canonical SMILES
O=C1C=C(C(=O)C(O)=C1CC2C(=C)CCC3C(C)(CO)CCCC23C)CO
0 references
isomeric SMILES
C[C@@]1(CCC[C@]2([C@H]1CCC(=C)[C@@H]2CC3=C(C(=O)C(=CC3=O)CO)O)C)CO
0 references
found in taxon
Phyllosticta spinarum
3 references
stated in
Sesquiterpene quinones and related metabolites from Phyllosticta spinarum, a fungal strain endophytic in Platycladus orientalis of the Sonoran Desert
stated in
Sesquiterpene quinones and related metabolites from Phyllosticta spinarum, a fungal strain endophytic in Platycladus orientalis of the Sonoran Desert
stated in
Sesquiterpene quinones and related metabolites from Phyllosticta spinarum, a fungal strain endophytic in Platycladus orientalis of the Sonoran Desert
Identifiers
InChI
InChI=1S/C22H30O5/c1-13-5-6-18-21(2,12-24)7-4-8-22(18,3)16(13)10-15-17(25)9-14(11-23)19(26)20(15)27/h9,16,18,23-24,27H,1,4-8,10-12H2,2-3H3/t16-,18-,21+,22+/m0/s1
0 references
InChIKey
YHRTZMVVXZGKOK-FBRLZHCOSA-N
2 references
stated in
PubChem
PubChem CID
24800192
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
24800192
language of work or name
English
PubChem CID
24800192
2 references
stated in
PubChem
PubChem CID
24800192
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YHRTZMVVXZGKOK-FBRLZHCOSA-N
ChEBI ID
224287
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H30O5/c1-13-5-6-18-21(2,12-24)7-4-8-22(18,3)16(13)10-15-17(25)9-14(11-23)19(26)20(15)27/h9,16,18,23-24,27H,1,4-8,10-12H2,2-3H3/t16-,18-,21+,22+/m0/s1
UniChem compound ID
32800486
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016802
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHRTZMVVXZGKOK-FBRLZHCOSA-N
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