Molecule

Sanjoinenine

AlkaPlorer ID: AK564291

Synonym: None

IUPAC Name: (E)-N-[(10E)-7-butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylprop-2-enamide

Structure

SMILES: CCC(C)C1N=C(O)C(N=C(O)/C=C/C2=CC=CC=C2)C(C(C)C)OC2=CC=C(/C=C/N=C1O)C=C2

InChI: InChI=1S/C29H35N3O4/c1-5-20(4)25-28(34)30-18-17-22-11-14-23(15-12-22)36-27(19(2)3)26(29(35)32-25)31-24(33)16-13-21-9-7-6-8-10-21/h6-20,25-27H,5H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/b16-13+,18-17+

InChIKey: WVYPBVOSAZSUAV-MTUSAYGMSA-N

Reference

Podoimbricatin A, a cytotoxic diterpenoid with an unprecedented 6/6/5/6-fused tetracyclic ring system from the twigs and leaves of Podocarpus imbricatus

PubChem CID: 118706210

LOTUS: LTS0146145

NPASS: NPC471953

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Dacrycarpus imbricatus	Dacrycarpus	Podocarpaceae	Araucariales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 489.6160000000002

TPSA？: 107.0

MolLogP？: 6.440500000000006

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	21500.0	nM	10.1016/j.bmcl.2014.05.100
Homo sapiens	NCI-H292	IC50	17800.0	nM	10.1016/j.bmcl.2014.05.100