Summary

IMPPAT Phytochemical identifier: IMPHY013657

Phytochemical name: Morphinandienone

Synonymous chemical names:
morphinandienone

External chemical identifiers:
CID:129643886

---

Chemical structure information

SMILES:
O=C1C=CC=C2[C@@]31CCN[C@@H]2Cc1c3cccc1

InChI:
InChI=1S/C16H15NO/c18-15-7-3-6-13-14-10-11-4-1-2-5-12(11)16(13,15)8-9-17-14/h1-7,14,17H,8-10H2/t14-,16-/m1/s1

InChIKey:
ZELDKFMKOMJOEU-GDBMZVCRSA-N

DeepSMILES:
O=CC=CC=C[C@]6CCN[C@@H]6Ccc8cccc6

Functional groups:
CC1=CC=CC(=O)C1, CNC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC=C2C3Cc4ccccc4C12CCN3

Scaffold Graph/Node level:
OC1CCCC2C3CC4CCCCC4C12CCN3

Scaffold Graph level:
CC1CCCC2C3CCCC12C1CCCCC1C3

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Morphinans

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.824

---

Chemical structure download