FKP

METHYLPIPERAZINOFORSKOLIN

Created:	1999-07-08
Last modified:	2011-06-04

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4 entries where FKP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	89
Chiral Atom Count	8
Bond Count	92
Aromatic Bond Count	0

2D diagram of FKP

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Chemical Component Summary
Name	METHYLPIPERAZINOFORSKOLIN
Systematic Name (OpenEye OEToolkits)	[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 5-(4-methylpiperazin-1-yl)pentanoate
Formula	C₃₀ H₅₀ N₂ O₇
Molecular Weight	550.727
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3CC(OC4(C(OC(=O)CCCCN1CCN(C)CC1)C(O)C2C(CCC(O)C2(C)C34O)(C)C)C)(\C=C)C
SMILES	CACTVS	3.341	CN1CCN(CCCCC(=O)O[CH]2[CH](O)[CH]3C(C)(C)CC[CH](O)[C]3(C)[C]4(O)C(=O)C[C](C)(O[C]24C)C=C)CC1
SMILES	OpenEye OEToolkits	1.5.0	CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C
Canonical SMILES	CACTVS	3.341	CN1CCN(CCCCC(=O)O[C@H]2[C@@H](O)[C@H]3C(C)(C)CC[C@H](O)[C@]3(C)[C@@]4(O)C(=O)C[C@@](C)(O[C@]24C)C=C)CC1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1(CC[C@@H]([C@]2([C@H]1[C@@H]([C@@H]([C@@]3([C@@]2(C(=O)C[C@](O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C
InChI	InChI	1.03	InChI=1S/C30H50N2O7/c1-8-27(4)19-21(34)30(37)28(5)20(33)12-13-26(2,3)24(28)23(36)25(29(30,6)39-27)38-22(35)11-9-10-14-32-17-15-31(7)16-18-32/h8,20,23-25,33,36-37H,1,9-19H2,2-7H3/t20-,23-,24-,25-,27-,28-,29+,30-/m0/s1
InChIKey	InChI	1.03	UNNWBVSRDSMIDQ-QAMJDCALSA-N

Related Resource References

Resource Name	Reference
PubChem	5288216

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