Summary

IMPPAT Phytochemical identifier: IMPHY009067

Phytochemical name: Picrasidine N

Synonymous chemical names:
picrasidine n

External chemical identifiers:
CID:5320557, ChEMBL:CHEMBL3401864, ZINC:ZINC000014655543

---

Chemical structure information

SMILES:
COn1c2c(ncc(c2c2c1cccc2)OC)CCn1ccc2c3-c1cc(=O)c(=O)n3c1c2cccc1

InChI:
InChI=1S/C29H22N4O4/c1-36-25-16-30-20(28-26(25)19-8-4-6-10-22(19)33(28)37-2)12-14-31-13-11-18-17-7-3-5-9-21(17)32-27(18)23(31)15-24(34)29(32)35/h3-11,13,15-16H,12,14H2,1-2H3

InChIKey:
HHWIEEOARTXHMA-UHFFFAOYSA-N

DeepSMILES:
COnccnccc6cc9cccc6)))))))OC)))))CCncccc-c6cc=O)c=O)n6cc9cccc6

Functional groups:
c=O, cOC, cn(c)C, cn(c)OC, cn(c)c, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc2n(CCc3nccc4c3[nH]c3ccccc34)ccc3c-2n(c1=O)c1ccccc31

Scaffold Graph/Node level:
OC1CC2C3C(CCN2CCC2NCCC4C5CCCCC5NC24)C2CCCCC2N3C1O

Scaffold Graph level:
CC1CC2C(CCC3CCCC4C5CCCCC5CC34)CCC3C4CCCCC4C(C1C)C23

---

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: 0.178

---

Chemical structure download