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(Q76546256)
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English
Nitenin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-2-ol
1 reference
based on heuristic
inferred from SMILES
mass
356.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₈O₄
0 references
canonical SMILES
OC(C)(C)CCC=1C(OC)=CC(OC)=C2C1OC(C=3C=CC=CC3)CC2
0 references
isomeric SMILES
CC(C)(CCC1=C(C=C(C2=C1O[C@@H](CC2)C3=CC=CC=C3)OC)OC)O
0 references
found in taxon
Spongia agaricina
3 references
stated in
New Metabolites from the SpongeSpongia agaricina
stated in
Structural and Stereochemical Studies of C-21 Terpenoids from Mediterranean Spongiidae Sponges
stated in
New Metabolites from the SpongeSpongia agaricina
Tephrosia watsoniana
2 references
stated in
Prenylflavans from Tephrosia watsoniana
stated in
Prenylflavans from Tephrosia watsoniana
Spongia officinalis
1 reference
stated in
Isonitenin and Acetylhomoagmatine new Metabolites from the SpongesSpongia OfficinalisandCliona celatacollected at the Galician Coast (NW Spain)
Identifiers
InChI
InChI=1S/C22H28O4/c1-22(2,23)13-12-17-20(25-4)14-19(24-3)16-10-11-18(26-21(16)17)15-8-6-5-7-9-15/h5-9,14,18,23H,10-13H2,1-4H3/t18-/m0/s1
0 references
InChIKey
LUGSEMDQUBBXEJ-SFHVURJKSA-N
0 references
PubChem CID
44257187
1 reference
matched by identifier from
InChIKey
InChIKey
LUGSEMDQUBBXEJ-SFHVURJKSA-N
ChEBI ID
178223
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H28O4/c1-22(2,23)13-12-17-20(25-4)14-19(24-3)16-10-11-18(26-21(16)17)15-8-6-5-7-9-15/h5-9,14,18,23H,10-13H2,1-4H3/t18-/m0/s1
UniChem compound ID
66153705
1 reference
stated in
UniChem
LIPID MAPS ID
LMPK12020256
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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