Molecule

hamayne Trifluoroacetic acid

AlkaPlorer ID: AK001630

Synonym: '', '(+)-11-Hydroxyvittatine', 'Hamayne', 'Bulbispermine'

IUPAC Name: (1S,13S,15R,18R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-15,18-diol

Structure

SMILES: O[C@H]1C=C[C@@]23C4=CC5=C(C=C4CN(C[C@@H]2O)[C@H]3C1)OCO5

InChI: InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14-,15-,16-/m0/s1

InChIKey: KWAOMPWGIIXDPH-MVWHLILJSA-N

Reference

Alkaloids from Crinum kirkii

PubChem CID: 443670

CAS: 61948-11-6

LOTUS: LTS0182031

SuperNatural Ⅲ: SN0196971-06

NPASS: NPC285362

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
Hesperocyparis arizonica	Hesperocyparis	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia juncea	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crinum macowanii	Crinum	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Viburnum lantana	Viburnum	Adoxaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 287.31500000000005

TPSA？: 62.16000000000001

MolLogP？: 0.5325999999999997

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Electrophorus electricus	Acetylcholinesterase	IC50	553000.0	nM	10.1016/j.ejmech.2020.112792
None	NON-PROTEIN TARGET	GI50	27000.0	nM	10.1016/j.ejmech.2016.05.004
None	NON-PROTEIN TARGET	GI50	38000.0	nM	10.1016/j.ejmech.2016.05.004
None	NON-PROTEIN TARGET	GI50	41000.0	nM	10.1016/j.ejmech.2016.05.004
None	NON-PROTEIN TARGET	GI50	53000.0	nM	10.1016/j.ejmech.2016.05.004
None	NON-PROTEIN TARGET	GI50	99000.0	nM	10.1016/j.ejmech.2016.05.004
None	NON-PROTEIN TARGET	GI50	nan	None	10.1016/j.ejmech.2016.05.004