Molecule

Neotuberostemonine

AlkaPlorer ID: AK017614

Synonym: None

IUPAC Name: (1S,3S,9R,10R,11R,14S,15R,16R)-10-ethyl-14-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadecan-13-one

Structure

SMILES: CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@@H](C[C@H]3[C@@H]2C[C@H](C)C(=O)O2)[C@H]2[C@@H]1OC(=O)[C@H]2C

InChI: InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16-,17-,18-,19+,20+/m0/s1

InChIKey: GYOGHROCTSEKDY-UEIGSNQUSA-N

Reference

Structural Relationships of <i>Stemona</i> Alkaloids: Assessment of Species-Specific Accumulation Trends for Exploiting Their Biological Activities

PubChem CID: 11667940

LOTUS: LTS0105185

SuperNatural Ⅲ: SN0118779-23

NPASS: NPC233274

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Stemona tuberosa	Stemona	Stemonaceae	Pandanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stemona sessilifolia	Stemona	Stemonaceae	Pandanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stemona japonica	Stemona	Stemonaceae	Pandanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tarenna bipindensis	Tarenna	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stemona phyllantha	Stemona	Stemonaceae	Pandanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Axinyssa ambrosia	Axinyssa	Halichondriidae	Suberitida	Demospongiae	Porifera	Metazoa	Eukaryota
Alibertia edulis	Alibertia	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Drosera gigantea	Drosera	Droseraceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 375.5090000000002

TPSA？: 55.84

MolLogP？: 3.0147000000000013

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Cavia porcellus	Cavia porcellus	ED50	66.0	umol.kg-1	10.1021/np0505317
None	Unchecked	Activity	nan	None	10.1021/np0497043
None	Unchecked	IC50	50000.0	nM	10.1021/np0497043