19-(hydroxymethyl)-3,16,18-trimethoxy-5,7-dioxa-13λ⁵-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium

AlkaPlorer ID: AK325223

Synonym: None

IUPAC Name: None

Structure

SMILES: COC1=CC(OC)=C2C=[N+]3CCC4=CC5=C(OCO5)C(OC)=C4C3=CC2=C1CO

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InChI: InChI=1S/C22H22NO6/c1-25-17-8-18(26-2)15(10-24)13-7-16-20-12(4-5-23(16)9-14(13)17)6-19-21(22(20)27-3)29-11-28-19/h6-9,24H,4-5,10-11H2,1-3H3/q+1

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InChIKey: BVFQFUHWBNGHDV-UHFFFAOYSA-N

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Reference

SuperNatural Ⅲ: SN0036397

NPASS: NPC65801

Properties Information

Molecule Weight: 396.41900000000015

TPSA: 70.26

MolLogP: 2.5972000000000013

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information