3K8

(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline

Created:	2014-09-01
Last modified:	2020-06-05

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1 entries where 3K8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	1
Bond Count	59
Aromatic Bond Count	16

2D diagram of 3K8

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Chemical Component Summary
Name	(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline
Synonyms	Cryptopleurine
Systematic Name (OpenEye OEToolkits)	(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine
Formula	C₂₄ H₂₇ N O₃
Molecular Weight	377.476
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c2ccc1c5c(c3c(c1c2)cc(OC)c(OC)c3)CC4N(CCCC4)C5)C
SMILES	CACTVS	3.385	COc1ccc2c3CN4CCCC[CH]4Cc3c5cc(OC)c(OC)cc5c2c1
SMILES	OpenEye OEToolkits	1.9.2	COc1ccc2c(c1)c3cc(c(cc3c4c2CN5CCCCC5C4)OC)OC
Canonical SMILES	CACTVS	3.385	COc1ccc2c3CN4CCCC[C@@H]4Cc3c5cc(OC)c(OC)cc5c2c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	COc1ccc2c(c1)c3cc(c(cc3c4c2CN5CCCC[C@@H]5C4)OC)OC
InChI	InChI	1.03	InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1
InChIKey	InChI	1.03	RSHYSOGXGSUUIJ-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	92765
ChEMBL	CHEMBL198075
ChEBI	CHEBI:3932

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