Dactylidine

AlkaPlorer ID: AK294256

Synonym: None

IUPAC Name: 11-(13,13-dimethyl-4,6,19,21-tetraoxa-13-azoniahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,11,14,16,18(22)-octaen-11-yl)-13,13-dimethyl-4,6,19,21-tetraoxa-13-azoniahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,11,14,16,18(22)-octaene

Structure

SMILES: C[N+]1(C)C=CC2=CC3=C(OCO3)C3=C4C5=C(C=CC4=C(C4=C6C7=C(C=C[N+]6(C)C)C=C6OCOC6=C7C6=C7OCOC7=CC=C46)C1=C23)OCO5

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InChI: InChI=1S/C40H30N2O8/c1-41(2)11-9-19-13-25-39(49-17-45-25)33-27(19)35(41)29(21-5-7-23-37(31(21)33)47-15-43-23)30-22-6-8-24-38(48-16-44-24)32(22)34-28-20(10-12-42(3,4)36(28)30)14-26-40(34)50-18-46-26/h5-14H,15-18H2,1-4H3/q+2

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InChIKey: MCICDJXPRJHXNQ-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 666.6860000000001

TPSA: 73.84000000000002

MolLogP: 7.983600000000004

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 12

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information