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(Q77500785)
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English
Penipaline A
bioactive natural product
In more languages
default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
8-(3-methylbut-2-enyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
284.15247788
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₀N₂O₂
0 references
canonical SMILES
O=C(O)C1NCC=2NC3=C(C=CC=C3CC=C(C)C)C2C1
0 references
isomeric SMILES
CC(C)=CCc1cccc2c3c([nH]c12)CN[C@H](C(=O)O)C3
0 references
found in taxon
Penicillium paneum
1 reference
stated in
Prenylated Indole Alkaloid Derivatives from Marine Sediment-Derived FungusPenicillium paneumSD-44
Identifiers
InChI
InChI=1S/C17H20N2O2/c1-10(2)6-7-11-4-3-5-12-13-8-14(17(20)21)18-9-15(13)19-16(11)12/h3-6,14,18-19H,7-9H2,1-2H3,(H,20,21)/t14-/m0/s1
0 references
InChIKey
VQSWVFALFFYCMJ-AWEZNQCLSA-N
2 references
stated in
PubChem
PubChem CID
139586179
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586179
language of work or name
English
PubChem CID
139586179
2 references
stated in
PubChem
PubChem CID
139586179
language of work or name
English
matched by identifier from
InChIKey
InChIKey
VQSWVFALFFYCMJ-AWEZNQCLSA-N
ChEBI ID
217577
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H20N2O2/c1-10(2)6-7-11-4-3-5-12-13-8-14(17(20)21)18-9-15(13)19-16(11)12/h3-6,14,18-19H,7-9H2,1-2H3,(H,20,21)/t14-/m0/s1
UniChem compound ID
170909463
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011120
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VQSWVFALFFYCMJ-AWEZNQCLSA-N
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