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13alpha-Hydroxymultiflorine

AlkaPlorer ID: AK068107

Synonym: '(-)-13alpha-Hydroxy Multiflorine'

IUPAC Name: (1S,2R,9S,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one

Structure

SMILES: O=C1C=CN2C[C@@H]3C[C@@H](CN4CC[C@H](O)C[C@@H]34)[C@H]2C1

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InChI: InChI=1S/C15H22N2O2/c18-12-1-3-16-8-10-5-11(14(16)6-12)9-17-4-2-13(19)7-15(10)17/h1,3,10-11,13-15,19H,2,4-9H2/t10-,11-,13-,14+,15-/m0/s1

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InChIKey: WADQXAAHRPKPQW-RCZQDCHWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lupinus albescens Lupinus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 262.353

TPSA？: 43.78

MolLogP？: 0.6184999999999994

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001455 C/C=C(\C)C(=O)[CoA].O=C1C=CN2C[C@@H]3C[C@@H](CN4CC[C@H](O)C[C@@H]34)[C@H]2C1>>C/C=C(\C)C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C=CC(=O)C[C@H]34)[C@@H]2C1 enzymemap_32483
AKRT023473 O=C([CoA])c1ccccc1.O=C1C=CN2C[C@@H]3C[C@@H](CN4CC[C@H](O)C[C@@H]34)[C@H]2C1>>O=C1C=CN2C[C@@H]3C[C@@H](CN4CCC(OC(=O)c5ccccc5)C[C@@H]34)[C@H]2C1 enzymemap_32490