Molecule

Harringtonine

AlkaPlorer ID: AK300017

Synonym: Cephalotaxine 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester)

IUPAC Name: 1-O-(4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl) 4-O-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate

Structure

SMILES: COC(=O)CC(O)(CCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCC2=CC4=C(C=C2C13)OCO4

InChI: InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3

InChIKey: HAVJATCHLFRDHY-UHFFFAOYSA-N

Reference

A New Neolignan from Cephalotaxus koreana

PubChem CID: 3567

CAS: 26833-85-2

LOTUS: LTS0208439

COCONUT: CNP0169048.10

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cephalotaxus oliveri	Cephalotaxus	Taxaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Cephalotaxus fortunei	Cephalotaxus	Taxaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Cephalotaxus harringtonia	Cephalotaxus	Taxaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Cephalotaxus hainanensis	Cephalotaxus	Taxaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Cephalotaxus sinensis	Cephalotaxus	Taxaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 531.6020000000004

TPSA？: 123.99000000000002

MolLogP？: 2.190599999999999

Number of H-Donors: 2

Number of H-Acceptors: 10

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Panel NCI-60 (60 carcinoma cell lines)	GI50	10.0	nM	10.1021/jm049838d
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402