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name Structure Reference Source Properties Activities Metabolism

methyl (1R,12R,19R)-12-[(1S)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9-tetraene-10-carboxylate

AlkaPlorer ID: AK206588

Synonym: None

IUPAC Name: methyl (1R,12R,19R)-12-[(1S)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate

Structure

SMILES: COC(=O)C1=C2NC3=CC(OC)=CC=C3[C@@]23CCN2CCC[C@@]([C@H](C)O)(C1)[C@H]23

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InChI: InChI=1S/C22H28N2O4/c1-13(25)21-7-4-9-24-10-8-22(20(21)24)16-6-5-14(27-2)11-17(16)23-18(22)15(12-21)19(26)28-3/h5-6,11,13,20,23,25H,4,7-10,12H2,1-3H3/t13-,20-,21-,22-/m0/s1

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InChIKey: RFESMOWWVVPMAX-PXAUIPFGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Vinca minor Vinca Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 384.47600000000017

TPSA？: 71.03

MolLogP？: 2.4246000000000008

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information