Molecule

13-hydroxylupanine

AlkaPlorer ID: AK014081

Synonym: '', '13alpha-hydroxyspartein-2-one', '(+)-13alpha-Hydroxylupanine', '13-Hydroxy-alpha-isolupanine', '13-Hydroxylupinine', '(+)-13-Hydroxylupanine', '13beta-Hydroxylupanine', '13alpha-Hydroxyisolupanine', '13-Hydroxylupanine'

IUPAC Name: (1S,2R,9S,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

Structure

SMILES: O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)CCN1C3

InChI: InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12-,13+,14-/m0/s1

InChIKey: JVYKIBAJVKEZSQ-YHQUGGNUSA-N

Reference

Analysis of Plant Alkaloid Mixtures by Ammonia Chemical Ionization Mass Spectrometry

PubChem CID: 73404

CAS: 15358-48-2

LOTUS: LTS0204906

SuperNatural Ⅲ: SN0176768-10

NPASS: NPC171385

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pistia stratiotes	Pistia	Araceae	Alismatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Oscillatoria amoena	Oscillatoria	Oscillatoriaceae	Oscillatoriales	Cyanophyceae	Cyanobacteriota	None	Bacteria
Plagiodera versicolora	Plagiodera	Chrysomelidae	Coleoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Lupinus mexicanus	Lupinus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ocimum basilicum	Ocimum	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia coco	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bupleurum chinense	Bupleurum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cytisus scoparius	Cytisus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Leplaea thompsonii	Leplaea	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prunus armeniaca	Prunus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lupinus lanatus	Lupinus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erechtites hieraciifolius	Erechtites	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Neotermes connexus	Neotermes	Kalotermitidae	Blattodea	Insecta	Arthropoda	Metazoa	Eukaryota
Strophanthus courmontii	Strophanthus	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 264.369

TPSA？: 43.78000000000001

MolLogP？: 0.8425

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT001457	C/C=C(\C)C(=O)[CoA].O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)CCN1C3>>C/C=C(\C)C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1	enzymemap_32484
AKRT005471	CC(C)CC(=O)[CoA].O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)CCN1C3>>CC(C)CC(=O)OC1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1	enzymemap_32486
AKRT007200	CCC(=O)[CoA].O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)CCN1C3>>CCC(=O)OC1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1	enzymemap_32488
AKRT007528	CCCCC(=O)[CoA].O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)CCN1C3>>CCCCC(=O)OC1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1	enzymemap_32485
AKRT023475	O=C([CoA])c1ccccc1.O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)CCN1C3>>O=C(O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1)c1ccccc1	enzymemap_32489