Stylopine; (S)-form, N-Me (trans-) 

AlkaPlorer ID: AK314654

Synonym: None

IUPAC Name: 13-methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene

Structure

SMILES: C[N+]12CCC3=CC4=C(C=C3C1CC1=CC=C3OCOC3=C1C2)OCO4

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InChI: InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1

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InChIKey: GBUUKFRQPCPYPW-UHFFFAOYSA-N

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Reference

PubChem CID: 5209498

COCONUT: CNP0081270.3

Properties Information

Molecule Weight: 338.3830000000001

TPSA: 36.92

MolLogP: 2.944100000000001

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014762 C[SAH].c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2>>C[N+]12CCc3cc4c(cc3C1Cc1ccc3c(c1C2)OCO3)OCO4 enzymemap_26919