19(E)-18-demethoxygardfloramine

AlkaPlorer ID: AK049665

Synonym: None

IUPAC Name: (1R,15S,16S,19E,20R,22S)-19-ethylidene-3-methoxy-5,7,13-trioxa-11,17-diazaheptacyclo[14.6.1.01,12.02,10.04,8.015,20.017,22]tricosa-2,4(8),9,11-tetraene

Structure

SMILES: C/C=C1/CN2[C@H]3C[C@@H]1[C@@H]1COC4=NC5=CC6=C(OCO6)C(OC)=C5[C@@]43C[C@@H]12

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InChI: InChI=1S/C21H22N2O4/c1-3-10-7-23-14-6-21-16(23)4-11(10)12(14)8-25-20(21)22-13-5-15-18(27-9-26-15)19(24-2)17(13)21/h3,5,11-12,14,16H,4,6-9H2,1-2H3/b10-3-/t11-,12-,14-,16-,21-/m0/s1

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InChIKey: UWJUSKOAJYNKFW-PAZSNEKJSA-N

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Reference

PubChem CID: 70697935

NPASS: NPC147108

Source

Species Genus Family Order Class Phylum Kingdom Domain
Gardneria ovata Gardneria Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 366.41700000000014

TPSA: 52.52000000000001

MolLogP: 2.774400000000001

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information