Summary

IMPPAT Phytochemical identifier: IMPHY012779

Phytochemical name: Picrasidine C

Synonymous chemical names:
picrasidine c

External chemical identifiers:
CID:5315685, ChEMBL:CHEMBL1086620, SureChEMBL:SCHEMBL10931282

---

Chemical structure information

SMILES:
COC(C(=O)c1nccc2c1[nH]c1c2cccc1)CCc1ncc(c2c1[nH]c1c2cccc1OC)OC

InChI:
InChI=1S/C29H26N4O4/c1-35-21-10-6-8-18-24-23(37-3)15-31-20(27(24)33-25(18)21)11-12-22(36-2)29(34)28-26-17(13-14-30-28)16-7-4-5-9-19(16)32-26/h4-10,13-15,22,32-33H,11-12H2,1-3H3

InChIKey:
FNSOWPJAPJEOEO-UHFFFAOYSA-N

DeepSMILES:
COCC=O)cncccc6[nH]cc5cccc6))))))))))))))CCcncccc6[nH]cc5cccc6OC)))))))))))OC

Functional groups:
COC, cC(C)=O, cOC, c[nH]c, cnc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCCc1nccc2c1[nH]c1ccccc12)c1nccc2c1[nH]c1ccccc12

Scaffold Graph/Node level:
OC(CCCC1NCCC2C3CCCCC3NC12)C1NCCC2C3CCCCC3NC21

Scaffold Graph level:
CC(CCCC1CCCC2C3CCCCC3CC12)C1CCCC2C3CCCCC3CC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Harmala alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 0.775

---

Chemical structure download