Molecule

(2S,3S,6S)-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 1-methyl (3R)-3-hydroxy-3-(3-methylbutyl)butanedioate

AlkaPlorer ID: AK322349

Synonym: None

IUPAC Name: 1-O-[(2S)-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 (2S)-2-hydroxy-2-(3-methylbutyl)butanedioate

Structure

SMILES: COC(=O)C[C@@](O)(CCC(C)C)C(=O)OC1C(OC)=CC23CCCN2CCC2=CC4=C(C=C2[C@H]13)OCO4

InChI: InChI=1S/C28H37NO8/c1-17(2)6-9-28(32,15-23(30)34-4)26(31)37-25-22(33-3)14-27-8-5-10-29(27)11-7-18-12-20-21(36-16-35-20)13-19(18)24(25)27/h12-14,17,24-25,32H,5-11,15-16H2,1-4H3/t24-,25?,27?,28+/m1/s1

InChIKey: WRCBXHDQHPUVHW-KBXBIZAPSA-N

Reference

Alkaloids from Cephalotaxus harringtonia

PubChem CID: 56840949

LOTUS: LTS0095424

NPASS: NPC47452

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Schisandra chinensis	Schisandra	Schisandraceae	Austrobaileyales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Panax ginseng	Panax	Araliaceae	Apiales	Magnoliopsida	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: 515.6030000000004

TPSA？: 103.76

MolLogP？: 3.075700000000001

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi