Molecule

(1S,6R,20S)-20-methyl-17-methylidene-4,7-dioxo-13-oxa-3-azapentacyclo[12.3.2.2³,⁶.0⁸,¹⁶.0¹⁰,¹⁵]henicosa-8(16),9,14-trien-9-yl acetate

AlkaPlorer ID: AK259312

Synonym: None

IUPAC Name: [(1S,6R,20S)-20-methyl-17-methylidene-4,7-dioxo-13-oxa-3-azapentacyclo[12.3.2.23,6.08,16.010,15]henicosa-8(16),9,14-trien-9-yl] acetate

Structure

SMILES: C=C1C2=C3C(=O)[C@@H]4CC(=O)N(C[C@H]1CCC1=C2C(=C3OC(C)=O)CCO1)C[C@H]4C

InChI: InChI=1S/C23H25NO5/c1-11-9-24-10-14-4-5-17-20-15(6-7-28-17)23(29-13(3)25)21(19(20)12(14)2)22(27)16(11)8-18(24)26/h11,14,16H,2,4-10H2,1,3H3/t11-,14-,16-/m1/s1

InChIKey: DIZCGIXPZFGBNL-DJSGYFEHSA-N

Reference

Daphnicyclidins J and K, Unique Polycyclic Alkaloids from Daphniphyllum humile

PubChem CID: 163035518

LOTUS: LTS0112680

SuperNatural Ⅲ: SN0066997-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Daphniphyllum macropodum	Daphniphyllum	Daphniphyllaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 395.4550000000002

TPSA？: 72.91

MolLogP？: 2.8217000000000008

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi