Summary

IMPPAT Phytochemical identifier: IMPHY001637

Phytochemical name: Ervoside

Synonymous chemical names:
aervoside

External chemical identifiers:
CID:15109283, ZINC:ZINC000034468951

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2ccc3c(c2)c2ccnc4c2n3c(=O)cc4)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C20H18N2O7/c23-8-14-17(25)18(26)19(27)20(29-14)28-9-1-3-13-11(7-9)10-5-6-21-12-2-4-15(24)22(13)16(10)12/h1-7,14,17-20,23,25-27H,8H2/t14-,17-,18+,19-,20-/m1/s1

InChIKey:
MZSAQIYKZGAUDD-LWUBGYQZSA-N

DeepSMILES:
OC[C@H]O[C@@H]Occcccc6)cccncc6n9c=O)cc6))))))))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, c=O, cO[C@@H](C)OC, cn(c)c, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2nccc3c4cc(OC5CCCCO5)ccc4n1c23

Scaffold Graph/Node level:
OC1CCC2NCCC3C4CC(OC5CCCCO5)CCC4N1C23

Scaffold Graph level:
CC1CCC2CCCC3C4CC(CC5CCCCC5)CCC4C1C23

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Indolonaphthyridine alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 1.29

---

Chemical structure download