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(Q76613765)
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Isosarcodine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pregnane steroid
0 references
mass
402.361014092
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₄₆N₂O
0 references
canonical SMILES
O=C(N(C)C1CCC2(C)C(CCC3C4CCC(C(N(C)C)C)C4(C)CCC32)C1)C
0 references
isomeric SMILES
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)N(C)C(=O)C)C)C)N(C)C
0 references
found in taxon
Sarcococca saligna
1 reference
stated in
3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)
Identifiers
InChI
InChI=1S/C26H46N2O/c1-17(27(5)6)22-10-11-23-21-9-8-19-16-20(28(7)18(2)29)12-14-25(19,3)24(21)13-15-26(22,23)4/h17,19-24H,8-16H2,1-7H3/t17-,19-,20-,21-,22+,23-,24-,25-,26+/m0/s1
0 references
InChIKey
WDKKOVABYKVZIW-VCJWWASDSA-N
0 references
PubChem CID
44358214
1 reference
matched by identifier from
InChIKey
InChIKey
WDKKOVABYKVZIW-VCJWWASDSA-N
ChEBI ID
228286
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H46N2O/c1-17(27(5)6)22-10-11-23-21-9-8-19-16-20(28(7)18(2)29)12-14-25(19,3)24(21)13-15-26(22,23)4/h17,19-24H,8-16H2,1-7H3/t17-,19-,20-,21-,22+,23-,24-,25-,26+/m0/s1
UniChem compound ID
335192
1 reference
stated in
UniChem
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