Summary

IMPPAT Phytochemical identifier: IMPHY006481

Phytochemical name: 15-nor-Prezizaan-7-one

Synonymous chemical names:
15-nor-prezizaan-7-one

External chemical identifiers:
CID:6428353

---

Chemical structure information

SMILES:
C=C1[C@@H]2CC[C@@]3(C2)C(C1=O)CC[C@@H]3C

InChI:
InChI=1S/C13H18O/c1-8-3-4-11-12(14)9(2)10-5-6-13(8,11)7-10/h8,10-11H,2-7H2,1H3/t8-,10+,11?,13-/m0/s1

InChIKey:
PSJUKNBMBYBQSO-IKKZXAHCSA-N

DeepSMILES:
C=C[C@@H]CC[C@@]C5)CC7=O))CC[C@@H]5C

Functional groups:
C=C(C)C(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)C2CCCC23CCC1C3

Scaffold Graph/Node level:
CC1C2CCC3(CCCC3C1O)C2

Scaffold Graph level:
CC1C2CCC3(CCCC3C1C)C2

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 3.167

---

Chemical structure download