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(Q82993362)
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Ptilocaulin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
ptilocaulin
0 references
mass
247.2048478
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,4R,10S,12R)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-5,8-dien-6-amine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₅N₃
0 references
canonical SMILES
N=C1NC2=C(CCCC)C(C)CC3CCC(N1)C23
0 references
isomeric SMILES
CCCCC1=C2[C@@H]3[C@@H](CC[C@@H]3N=C(N2)N)C[C@@H]1C
0 references
found in taxon
Clathria calla
1 reference
stated in
Bioactive guanidine alkaloids from two Caribbean marine sponges.
Batzella
3 references
stated in
Novel Alkaloids from the Sponge Batzella sp.: Inhibitors of HIV gp120-Human CD4 Binding
stated in
Three New Tricyclic Guanidine Alkaloids from the SpongeBatzellasp.
stated in
Three New Tricyclic Guanidine Alkaloids from the SpongeBatzellasp.
Monanchora arbuscula
3 references
stated in
8b-Hydroxyptilocaulin, a New Guanidine Alkaloid from the Sponge Monanchora arbuscula
stated in
Alkaloids from the sponge Monanchora unguifera
stated in
Novel polycyclic guanidine alkaloids from two marine sponges of the genus Monanchora
Ptilocaulis spiculifer
1 reference
stated in
Ptilocaulin and isoptilocaulin, antimicrobial and cytotoxic cyclic guanidines from the Caribbean sponge Ptilocaulis aff. P. spiculifer (Lamarck, 1814)
Identifiers
InChI
InChI=1S/C15H25N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h9-10,12-13H,3-8H2,1-2H3,(H3,16,17,18)/t9-,10-,12-,13+/m0/s1
0 references
InChIKey
MGZKFJKGMKJURC-XRRVDJEJSA-N
0 references
CAS Registry Number
78777-02-3
0 references
PubChem CID
127598
1 reference
matched by identifier from
InChIKey
InChIKey
MGZKFJKGMKJURC-XRRVDJEJSA-N
UniChem compound ID
19180
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501000014
1 reference
matched by identifier from
InChIKey
InChIKey
MGZKFJKGMKJURC-XRRVDJEJSA-N
DSSTOX compound identifier
DTXCID601426982
0 references
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