Summary

IMPPAT Phytochemical identifier: IMPHY014591

Phytochemical name: (4bR,5S,11bS)-1,2-dimethoxy-12-methyl-13-methylidene-4b,5,6,11b-tetrahydro-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol

Synonymous chemical names:
alpha-homochelidonine

External chemical identifiers:
CID:101670978

---

Chemical structure information

SMILES:
COc1c(OC)ccc2c1C(=C)N(C)[C@H]1[C@@H]2[C@@H](O)Cc2c1cc1OCOc1c2

InChI:
InChI=1S/C22H23NO5/c1-11-19-13(5-6-16(25-3)22(19)26-4)20-15(24)7-12-8-17-18(28-10-27-17)9-14(12)21(20)23(11)2/h5-6,8-9,15,20-21,24H,1,7,10H2,2-4H3/t15-,20-,21+/m0/s1

InChIKey:
WLOSIJXUIVRNQV-ONGXBYRLSA-N

DeepSMILES:
COccOC))cccc6C=C)NC)[C@H][C@@H]6[C@@H]O)Ccc6ccOCOc5c9

Functional groups:
CO, c1cOCO1, cC(=C)N(C)C, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1NC2c3cc4c(cc3CCC2c2ccccc21)OCO4

Scaffold Graph/Node level:
CC1NC2C3CC4OCOC4CC3CCC2C2CCCCC12

Scaffold Graph level:
CC1CC2C3CC4CCCC4CC3CCC2C2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Benzophenanthridine alkaloids

ClassyFire Subclass: Hexahydrobenzophenanthridine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.215

---

Chemical structure download