Molecule

Fumaricine; (±)-form

AlkaPlorer ID: AK298768

Synonym: None

IUPAC Name: 6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol

Structure

SMILES: COC1=C(OC)C=C2C(=C1)CCN(C)C21CC2=CC=C3OCOC3=C2C1O

InChI: InChI=1S/C21H23NO5/c1-22-7-6-12-8-16(24-2)17(25-3)9-14(12)21(22)10-13-4-5-15-19(27-11-26-15)18(13)20(21)23/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3

InChIKey: QDNMFIYGVRUVCE-UHFFFAOYSA-N

Reference

Alkaloids of fumariaceous plants. LVII. Miscellaneous observations

PubChem CID: 609998

CAS: 24181-77-9

LOTUS: LTS0234387

NPASS: NPC45960

COCONUT: CNP0394226.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Daphniphyllum calycinum	Daphniphyllum	Daphniphyllaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Urtica dioica	Urtica	Urticaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Buglossoides arvensis	Buglossoides	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fumaria parviflora	Fumaria	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fumaria officinalis	Fumaria	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Corydalis yanhusuo	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Malus domestica	Malus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ganoderma japonicum	Ganoderma	Polyporaceae	Polyporales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Plantago major	Plantago	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pisum sativum	Pisum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cladonia rangiferina	Cladonia	Cladoniaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Helianthus annuus	Helianthus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia antiquorum	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sarcandra glabra	Sarcandra	Chloranthaceae	Chloranthales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pyrrosia sheareri	Pyrrosia	Polypodiaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
None	Fumaria	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Capsella bursa-pastoris	Capsella	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Glaucium flavum	Glaucium	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ficus carica	Ficus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 369.4170000000001

TPSA？: 60.39

MolLogP？: 2.4054000000000006

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi