Molecule

Norpluvine

AlkaPlorer ID: AK017148

Synonym: None

IUPAC Name: (1S,15R,16S)-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-5,15-diol

SMILES: COC1=CC2=C(C=C1O)CN1CCC3=CC[C@@H](O)[C@@H]2[C@@H]31

InChI: InChI=1S/C16H19NO3/c1-20-14-7-11-10(6-13(14)19)8-17-5-4-9-2-3-12(18)15(11)16(9)17/h2,6-7,12,15-16,18-19H,3-5,8H2,1H3/t12-,15-,16-/m1/s1

InChIKey: KYCRETLRESMMIM-DAXOMENPSA-N

PubChem CID: 12313583

LOTUS: LTS0028781

SuperNatural Ⅲ: SN0198553-02

NPASS: NPC249274

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lycoris radiata	Lycoris	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Orixa japonica	Orixa	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 273.33199999999994

TPSA？: 52.93000000000001

MolLogP？: 1.7633

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	10000.0	nM	10.1021/jm901031h
Homo sapiens	A549	IC50	10000.0	nM	10.1021/np9008255
Homo sapiens	SK-MEL	IC50	10000.0	nM	10.1021/np9008255
Homo sapiens	SK-MEL-28	IC50	10000.0	nM	10.1021/jm901031h
Mus musculus	B16-F10	IC50	10000.0	nM	10.1021/jm901031h
Mus musculus	B16-F10	IC50	10000.0	nM	10.1021/np9008255
Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	90.0	ug.mL-1	10.1016/j.bmcl.2019.126642
None	NON-PROTEIN TARGET	IC50	10000.0	nM	10.1021/jm901031h
None	NON-PROTEIN TARGET	IC50	10000.0	nM	10.1021/np9008255

AKRT ID	Reaction	Reaction Link ID
AKRT011638	COc1cc2c(cc1O)CN1CCC3=CCC(=O)[C@@H]2[C@@H]31>>COc1cc2c(cc1O)CN1CCC3=CC[C@@H](O)[C@@H]2[C@@H]31	RXN-18135
AKRT011640	COc1cc2c(cc1O)CN1CCC3=CC[C@@H](O)[C@@H]2[C@@H]31>>O[C@@H]1CC=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5	RXN-18153