Molecule

hamayne Trifluoroacetic acid

AlkaPlorer ID: AK001632

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

IUPAC Name: (1S,13S,15S,18S)-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+/m1/s1

InChIKey: KWAOMPWGIIXDPH-NWLYGAKOSA-N

Reference

Four New Crinine-Type Alkaloids from Sternbergia Species

PubChem CID: 70682698

LOTUS: LTS0217585

SuperNatural Ⅲ: SN0196971-08

NPASS: NPC58766

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pittosporum eugenioides	Pittosporum	Pittosporaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pteroxygonum giraldii	Pteroxygonum	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stereocaulon dactylophyllum	Stereocaulon	Stereocaulaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Erythropodium caribaeorum	Erythropodium	Alcyoniidae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	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
Plasmodium falciparum	Plasmodium falciparum	IC50	13200.0	nM	10.1016/j.bmc.2012.07.036

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT014744	C[SAH].O[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2O)[C@H]3C1)OCO5>>CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2O)[C@H]3C1)OCO5	RXN-18141
AKRT024858	O[C@@H]1C=C[C@]23CCN(Cc4cc5c(cc42)OCO5)[C@H]3C1>>O[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2O)[C@H]3C1)OCO5	RXN-18140