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(Q104400177)
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Duguetine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
16,17-Dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
1 reference
based on heuristic
inferred from SMILES
mass
355.141972772
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(12R,13R)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₁NO₅
0 references
canonical SMILES
OC1C2=CC(OC)=C(OC)C=C2C=3C=4OCOC4C=C5C3C1N(C)CC5
0 references
isomeric SMILES
COc1cc2c(cc1OC)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C
0 references
found in taxon
Duguetia furfuracea
1 reference
stated in
The antitumoral, trypanocidal and antileishmanial activities of extract and alkaloids isolated from Duguetia furfuracea.
Duguetia flagellaris
1 reference
stated in
Alkaloids and volatile constituents from Duguetia flagellaris
Identifiers
InChI
InChI=1S/C20H21NO5/c1-21-5-4-10-6-15-20(26-9-25-15)17-11-7-13(23-2)14(24-3)8-12(11)19(22)18(21)16(10)17/h6-8,18-19,22H,4-5,9H2,1-3H3/t18-,19-/m0/s1
0 references
InChIKey
ZAVWGRCRKSHIMO-OALUTQOASA-N
0 references
PubChem CID
45102748
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZAVWGRCRKSHIMO-OALUTQOASA-N
ChEBI ID
181139
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H21NO5/c1-21-5-4-10-6-15-20(26-9-25-15)17-11-7-13(23-2)14(24-3)8-12(11)19(22)18(21)16(10)17/h6-8,18-19,22H,4-5,9H2,1-3H3/t18-,19-/m0/s1
UniChem compound ID
33970136
1 reference
stated in
UniChem
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