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(Q75057263)
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English
Mariline A1
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
5-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-7-methoxy-2-{4-methoxy-2-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3,6-dimethyl-3H-isoindol-1-one
1 reference
based on heuristic
inferred from SMILES
mass
533.314123476
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Mariline A2
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₃H₄₃NO₅
0 references
canonical SMILES
O=C1C2=C(OC)C(=C(OCC=C(C)CCC=C(C)C)C=C2C(N1C3=CC=C(OC)C=C3OCC=C(C)C)C)C
0 references
isomeric SMILES
COc1ccc(N2C(=O)c3c(cc(OC/C=C(\C)CCC=C(C)C)c(C)c3OC)[C@H]2C)c(OCC=C(C)C)c1
0 references
found in taxon
Stachylidium
1 reference
stated in
Marilines A-C: Novel Phthalimidines from the Sponge-Derived Fungus Stachylidium sp.
Identifiers
InChI
InChI=1S/C33H43NO5/c1-21(2)11-10-12-23(5)16-18-38-29-20-27-25(7)34(33(35)31(27)32(37-9)24(29)6)28-14-13-26(36-8)19-30(28)39-17-15-22(3)4/h11,13-16,19-20,25H,10,12,17-18H2,1-9H3/b23-16+/t25-/m1/s1
0 references
InChIKey
HKXBQPCKPGEUKH-OWXSRONMSA-N
0 references
PubChem CID
60166536
2 references
stated in
PubChem
PubChem CID
60166536
language of work or name
English
matched by identifier from
InChIKey
InChIKey
HKXBQPCKPGEUKH-OWXSRONMSA-N
ChEBI ID
197964
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C33H43NO5/c1-21(2)11-10-12-23(5)16-18-38-29-20-27-25(7)34(33(35)31(27)32(37-9)24(29)6)28-14-13-26(36-8)19-30(28)39-17-15-22(3)4/h11,13-16,19-20,25H,10,12,17-18H2,1-9H3/b23-16+/t25-/m1/s1
UniChem compound ID
34544597
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000491
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HKXBQPCKPGEUKH-OWXSRONMSA-N
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