Summary

IMPPAT Phytochemical identifier: IMPHY001022

Phytochemical name: Physovenine

Synonymous chemical names:
physovenine

External chemical identifiers:
CID:442113, ChEMBL:CHEMBL205231, ChEBI:8188, FDASRS:H67Q5553UW, SureChEMBL:SCHEMBL1666015

---

Chemical structure information

SMILES:
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@@H]1N2C

InChI:
InChI=1S/C14H18N2O3/c1-14-6-7-18-12(14)16(3)11-5-4-9(8-10(11)14)19-13(17)15-2/h4-5,8,12H,6-7H2,1-3H3,(H,15,17)/t12-,14-/m0/s1

InChIKey:
LXTKNVLLWOLCOV-JSGCOSHPSA-N

DeepSMILES:
CNC=O)Occcccc6)[C@]C)CCO[C@@H]5N8C

Functional groups:
cN(C)[C@H](C)OC, cOC(=O)NC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)NC1OCCC21

Scaffold Graph/Node level:
C1CCC2C(C1)NC1OCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Pyrroloindole alkaloids

NP-Likeness score: 1.098

---

Chemical structure download