Molecule

Neolitsine

AlkaPlorer ID: AK053346

Synonym: None

IUPAC Name: (12S)-13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene

SMILES: CN1CCC2=C3C(=C4OCOC4=C2)C2=CC4=C(C=C2C[C@@H]31)OCO4

InChI: InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3/t13-/m0/s1

InChIKey: GKEOKAJRKHTDOS-ZDUSSCGKSA-N

PubChem CID: 10064778

CAS: 2466-42-4

LOTUS: LTS0082980

SuperNatural Ⅲ: SN0107907-01

NPASS: NPC210918

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Laurus nobilis	Laurus	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pachypodium lealii	Pachypodium	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phalaenopsis equestris	Phalaenopsis	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Porphyridium purpureum	Porphyridium	Porphyridiaceae	Porphyridiales	Bangiophyceae	Rhodophyta	None	Eukaryota
Cassytha filiformis	Cassytha	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sideritis discolor	Sideritis	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Schisandra nigra	Schisandra	Schisandraceae	Austrobaileyales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Neolitsea pulchella	Neolitsea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brickellia diffusa	Brickellia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 323.34800000000007

TPSA？: 40.16

MolLogP？: 2.896100000000001

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 6

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Rattus norvegicus	Aorta	IC50	290.0	nM	10.1021/np070564h