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(Q76084808)
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Ocobullenone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9-(7-methoxy-2H-1,3-benzodioxol-5-yl)-10-methyl-8-(prop-2-en-1-yl)-2,4-dioxatricyclo[6.2.1.0¹,⁵]undec-5-en-7-one
1 reference
based on heuristic
inferred from SMILES
mass
370.1416384239999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Isoocobullenone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,8R,9S,10R)-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-8-prop-2-enyl-2,4-dioxatricyclo[6.2.1.01,5]undec-5-en-7-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,8S,9S,10S)-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-8-prop-2-enyl-2,4-dioxatricyclo[6.2.1.01,5]undec-5-en-7-one
1 reference
based on heuristic
inferred from InChI
(1S,8S,9R,10S)-9-(7-methoxy-1,3-benzodioxol-5-yl)-10-methyl-8-prop-2-enyl-2,4-dioxatricyclo[6.2.1.01,5]undec-5-en-7-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₂O₆
0 references
canonical SMILES
O=C1C=C2OCOC23CC1(CC=C)C(C4=CC(OC)=C5OCOC5=C4)C3C
0 references
isomeric SMILES
C[C@@H]1[C@@H]([C@]2(C[C@]13C(=CC2=O)OCO3)CC=C)C4=CC5=C(C(=C4)OC)OCO5
0 references
found in taxon
Cryptocarya liebertiana
1 reference
stated in
Cryptocarya liebertiana and Ocotea bullata—Their phytochemical relationship
Ocotea bullata
5 references
stated in
Iso-ocobullenone and a neolignan ketone from ocotea bullata bark
stated in
Ocobullenone: A bicyclo[3.2.1]octanoid neolignan from Ocotea bullata
stated in
Stereostructure and anti-inflammatory activity of three diastereomers of ocobullenone from Ocotea bullata
stated in
Ocobullenone: A bicyclo[3.2.1]octanoid neolignan from Ocotea bullata
stated in
Stereostructure and anti-inflammatory activity of three diastereomers of ocobullenone from Ocotea bullata
Ocotea cymosa
1 reference
stated in
Neolignans and other metabolites from Ocotea cymosa from the Madagascar rain forest and their biological activities.
Mespilodaphne cymosa
1 reference
stated in
Neolignans and other metabolites from Ocotea cymosa from the Madagascar rain forest and their biological activities.
Identifiers
InChI
InChI=1S/C21H22O6/c1-4-5-20-9-21(17(8-16(20)22)25-11-27-21)12(2)18(20)13-6-14(23-3)19-15(7-13)24-10-26-19/h4,6-8,12,18H,1,5,9-11H2,2-3H3/t12-,18-,20+,21-/m1/s1
0 references
InChIKey
VMBFNOIPGQFDTB-XFHMVGKKSA-N
0 references
CAS Registry Number
149990-50-1
0 references
PubChem CID
197600
1 reference
matched by identifier from
InChIKey
InChIKey
VMBFNOIPGQFDTB-XFHMVGKKSA-N
UniChem compound ID
50726576
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50933834
1 reference
matched by identifier from
InChIKey
InChIKey
VMBFNOIPGQFDTB-XFHMVGKKSA-N
DSSTOX compound identifier
DTXCID701362490
0 references
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