Summary

IMPPAT Phytochemical identifier: IMPHY012646

Phytochemical name: 11,17-Dimethoxy-6,8,12-trioxa-22-azapentacyclo[11.9.0.02,10.05,9.014,19]docosa-2(10),3,5(9),14,16,18-hexaen-16-ol

Synonymous chemical names:
porphyroxine

External chemical identifiers:
CID:601829

---

Chemical structure information

SMILES:
COC1OC2c3cc(O)c(cc3CCNC2c2c1c1OCOc1cc2)OC

InChI:
InChI=1S/C20H21NO6/c1-23-15-7-10-5-6-21-17-11-3-4-14-19(26-9-25-14)16(11)20(24-2)27-18(17)12(10)8-13(15)22/h3-4,7-8,17-18,20-22H,5-6,9H2,1-2H3

InChIKey:
YLUOVOKBMSLYGX-UHFFFAOYSA-N

DeepSMILES:
COCOCcccO)ccc6CCNC%11cc%15cOCOc5cc9)))))))))))))))OC

Functional groups:
CNC, c1cOCO1, cC(OC)OC, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCNC1c3ccc4c(c3COC21)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)CCNC1C3CCC4OCOC4C3COC21

Scaffold Graph level:
C1CCC2C(C1)CCCC1C2CCC2C3CCCC3CCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Rhoeadine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 2.003

---

Chemical structure download