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(Q105150109)
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Schefflerin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4,5-dimethoxy-2-[3-methyl-2-(3-methylbut-2-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol
1 reference
based on heuristic
inferred from SMILES
mass
436.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2,6-dihydroxy-3,4-dimethoxyphenyl)-[(1R,2S,6R)-3-methyl-2-(3-methylbut-2-enyl)-6-phenylcyclohex-3-en-1-yl]methanone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₂O₅
0 references
canonical SMILES
O=C(C1=C(O)C=C(OC)C(OC)=C1O)C2C(C=3C=CC=CC3)CC=C(C)C2CC=C(C)C
0 references
isomeric SMILES
COc1cc(O)c(C(=O)[C@H]2[C@H](CC=C(C)C)C(C)=CC[C@@H]2c2ccccc2)c(O)c1OC
0 references
found in taxon
Uvaria scheffleri
1 reference
stated in
Schefflerin and isoschefflerin: Prenylated chalcones and other constituents of Uvaria scheffleri
Identifiers
InChI
InChI=1S/C27H32O5/c1-16(2)11-13-19-17(3)12-14-20(18-9-7-6-8-10-18)23(19)25(29)24-21(28)15-22(31-4)27(32-5)26(24)30/h6-12,15,19-20,23,28,30H,13-14H2,1-5H3/t19-,20-,23+/m1/s1
0 references
InChIKey
LCZZAPQMQRPJJJ-VIZSFHNOSA-N
0 references
PubChem CID
101533038
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LCZZAPQMQRPJJJ-VIZSFHNOSA-N
UniChem compound ID
97800707
1 reference
stated in
UniChem
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