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(Q77568151)
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English
(±)-pestalachloride D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2,4-dichloro-8,10-dihydroxy-1-methoxy-3,6,6-trimethyl-7,11b-dihydro-6aH-indeno[2,1-c]chromene-11-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
422.0687791
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Pestalachloride C
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(6aR,11bS)-2,4-dichloro-8,10-dihydroxy-1-methoxy-3,6,6-trimethyl-7,11b-dihydro-6aH-indeno[2,1-c]chromene-11-carbaldehyde
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀Cl₂O₅
0 references
canonical SMILES
O=CC1=C(O)C=C(O)C2=C1C3C4=C(OC)C(Cl)=C(C(Cl)=C4OC(C)(C)C3C2)C
0 references
isomeric SMILES
CC1=C(C2=C([C@H]3[C@H](CC4=C3C(=C(C=C4O)O)C=O)C(O2)(C)C)C(=C1Cl)OC)Cl
0 references
found in taxon
Pestalotiopsis
1 reference
stated in
(±)-Pestalachloride D, an antibacterial racemate of chlorinated benzophenone derivative from a soft coral-derived fungus Pestalotiopsis sp
Identifiers
InChI
InChI=1S/C21H20Cl2O5/c1-8-17(22)19(27-4)16-15-11(21(2,3)28-20(16)18(8)23)5-9-12(25)6-13(26)10(7-24)14(9)15/h6-7,11,15,25-26H,5H2,1-4H3/t11-,15-/m0/s1
0 references
InChIKey
ANCGXXHYXGKUAF-NHYWBVRUSA-N
2 references
stated in
PubChem
PubChem CID
139587524
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139587524
language of work or name
English
PubChem CID
139587524
2 references
stated in
PubChem
PubChem CID
139587524
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ANCGXXHYXGKUAF-NHYWBVRUSA-N
ChEBI ID
219688
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H20Cl2O5/c1-8-17(22)19(27-4)16-15-11(21(2,3)28-20(16)18(8)23)5-9-12(25)6-13(26)10(7-24)14(9)15/h6-7,11,15,25-26H,5H2,1-4H3/t11-,15-/m0/s1
UniChem compound ID
154060504
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015918
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ANCGXXHYXGKUAF-NHYWBVRUSA-N
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