Molecule

daphnipaxianine A

AlkaPlorer ID: AK022746

Synonym: 'daphnipaxianine B'

IUPAC Name: (1S,2S,3R,5R,6S,10S,13S)-13-hydroxy-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icos-16(19)-ene-15,20-dione

Structure

SMILES: C[C@@H]1CN2C[C@H]3CC[C@]4(O)CC(=O)C5=C4[C@@]4(CC5)C(=O)[C@@H]1C[C@@H]2[C@@]34C

InChI: InChI=1S/C21H27NO3/c1-11-9-22-10-12-3-5-20(25)8-15(23)13-4-6-21(17(13)20)18(24)14(11)7-16(22)19(12,21)2/h11-12,14,16,25H,3-10H2,1-2H3/t11-,12-,14-,16-,19-,20+,21+/m1/s1

InChIKey: LSKAYCSMVNNFJC-BOSSYYJLSA-N

Reference

PubChem CID: 23655743

SuperNatural Ⅲ: SN0214109-01

NPASS: NPC116583

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aralia cordata	Aralia	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Melilotus officinalis	Melilotus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Neocheiropteris palmatopedata	Neocheiropteris	Polypodiaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Daphniphyllum paxianum	Daphniphyllum	Daphniphyllaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 341.4510000000001

TPSA？: 57.61

MolLogP？: 2.1063

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HCT-116	Activity	None	None	10.1021/np070342j
Mus musculus	MEF	Activity	None	None	10.1021/np070342j