Summary

IMPPAT Phytochemical identifier: IMPHY006476

Phytochemical name: 12-nor-Preziza-7(15)-en-2-one

Synonymous chemical names:
12-nor-preziza-7(15)-en

External chemical identifiers:
CID:6428341

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Chemical structure information

SMILES:
O=C1CCC2[C@@]31CC[C@H](C3)C(=C)C2(C)C

InChI:
InChI=1S/C14H20O/c1-9-10-6-7-14(8-10)11(13(9,2)3)4-5-12(14)15/h10-11H,1,4-8H2,2-3H3/t10-,11?,14-/m1/s1

InChIKey:
ROIPFIPZYGGKEB-VBCZDQSUSA-N

DeepSMILES:
O=CCCC[C@]5CC[C@H]C5)C=C)C7C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC(=O)C23CCC1C3

Scaffold Graph/Node level:
CC1CC2CCC(O)C23CCC1C3

Scaffold Graph level:
CC1CC2CCC(C)C23CCC1C3

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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 Classifier Class: Prezizaane sesquiterpenoids

NP-Likeness score: 2.845

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Chemical structure download