Molecule

(4aR,10bS)-noroxomaritidine

AlkaPlorer ID: AK051944

Synonym: '(1R,10S)-5-Hydroxy-4-methoxy-9-azatetracyclo7.5.2.0(1,10).0(2,7)hexadeca-2,4,6,13-tetraen-12-one Trifluoroacetic acid', '(4aS,10bR)-noroxomaritidine', '8-O-demethyloxomaritidine Trifluoroacetic acid'

IUPAC Name: (1R,10S)-5-hydroxy-4-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6,13-tetraen-12-one

Structure

SMILES: COC1=CC2=C(C=C1O)CN1CC[C@@]23C=CC(=O)C[C@H]13

InChI: InChI=1S/C16H17NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,15,19H,4-5,7,9H2,1H3/t15-,16-/m0/s1

InChIKey: VEXDOCFQMVMPHJ-HOTGVXAUSA-N

Reference

Comprehensive Study of Alkaloids from <i>Crinum asiaticum</i> var. <i>sinicum</i> Assisted by HPLC-DAD-SPE-NMR

PubChem CID: 11184826

LOTUS: LTS0084802

NPASS: NPC290181

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Crinum asiaticum	Crinum	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crotalaria crispata	Crotalaria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Atriplex parvifolia	Atriplex	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Galanthus elwesii	Galanthus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hesperocyparis arizonica	Hesperocyparis	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia juncea	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Viburnum lantana	Viburnum	Adoxaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 271.316

TPSA？: 49.77

MolLogP？: 1.7555

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	NON-PROTEIN TARGET	GI50	100000.0	nM	10.1016/j.ejmech.2016.05.004

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT011641	COc1cc2c(cc1O)CN1CC[C@@]23C=CC(=O)C[C@H]13>>COc1cc2c(cc1O)CN1CC[C@@]23C=C[C@@H](O)C[C@H]13	RXN-18133
AKRT011642	COc1cc2c(cc1O)CN1CC[C@@]23C=CC(=O)C[C@H]13>>COc1cc2c(cc1O)CN1CC[C@@]23CCC(=O)C[C@H]13	RXN-18138
AKRT011643	COc1cc2c(cc1O)CN1CC[C@@]23C=CC(=O)C[C@H]13>>COc1cc2c(cc1O)CN1CC[C@@]23CC[C@@H](O)C[C@H]13	R11758
AKRT011785	COc1ccc(CNCCc2ccc(O)cc2)cc1O>>COc1cc2c(cc1O)CN1CC[C@@]23C=CC(=O)C[C@H]13	RXN-18142