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(Q82963449)
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Isogravacridonechlorine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
acridone alkaloid
0 references
mass
359.092435736
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₈ClNO₄
0 references
canonical SMILES
O=C1C=2C=CC=CC2N(C=3C1=C(O)C=C4OC(CC43)C(O)(C)CCl)C
0 references
found in taxon
Ruta chalepensis
1 reference
stated in
Weitere acridon-alkaloide aus Ruta graveolens
Ruta graveolens
3 references
stated in
Investigation of cytotoxic activity on human cancer cell lines of arborinine and furanoacridones isolated from Ruta graveolens.
stated in
Isogravacridonchlorine: a potent and direct acting frameshift mutagen from the roots of Ruta graveolens.
stated in
Naphthoherniarin: an unusual coumarin derivative from Ruta graveolens
Identifiers
InChI
InChI=1S/C19H18ClNO4/c1-19(24,9-20)15-7-11-14(25-15)8-13(22)16-17(11)21(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,22,24H,7,9H2,1-2H3
0 references
InChIKey
PGOOUZZLZBIMRI-UHFFFAOYSA-N
0 references
CAS Registry Number
62512-94-1
1 reference
stated in
CAS Common Chemistry
retrieved
6 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=62512-94-1
InChIKey
PGOOUZZLZBIMRI-UHFFFAOYSA-N
PubChem CID
5486900
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PGOOUZZLZBIMRI-UHFFFAOYSA-N
ChEBI ID
230576
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H18ClNO4/c1-19(24,9-20)15-7-11-14(25-15)8-13(22)16-17(11)21(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,22,24H,7,9H2,1-2H3
UniChem compound ID
593299
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20978111
1 reference
matched by identifier from
InChIKey
InChIKey
PGOOUZZLZBIMRI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301405438
0 references
Human Metabolome Database ID
HMDB0030189
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PGOOUZZLZBIMRI-UHFFFAOYSA-N
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