Summary

IMPPAT Phytochemical identifier: IMPHY010617

Phytochemical name: Picrasidine U

Synonymous chemical names:
picrasidine u

Chemical structure information

SMILES:
COc1cccc2c1[nH]c1c2c(OC)cnc1CCn1ccc2c3-c1c(OC)c(=O)c(=O)n3c1c2cccc1

InChI:
InChI=1S/C30H24N4O5/c1-37-21-10-6-8-18-23-22(38-2)15-31-19(25(23)32-24(18)21)12-14-33-13-11-17-16-7-4-5-9-20(16)34-26(17)27(33)29(39-3)28(35)30(34)36/h4-11,13,15,32H,12,14H2,1-3H3

InChIKey:
LSOSHBWRTOQOFV-UHFFFAOYSA-N

DeepSMILES:
COcccccc6[nH]cc5cOC))cnc6CCncccc-c6cOC))c=O)c=O)n6cc9cccc6

Functional groups:
c=O, cOC, c[nH]c, cn(c)C, 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: 0.285

---

Chemical structure download