Summary

IMPPAT Phytochemical identifier: IMPHY014864

Phytochemical name: cis-beta-Davanone

Synonymous chemical names:
cis-beta-davanone

External chemical identifiers:
CID:101796751, ZINC:ZINC000015163630

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Chemical structure information

SMILES:
C=C[C@]1(C)CC[C@@H](O1)[C@@H](C(=O)CC=C(C)C)C

InChI:
InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12-,14-,15-/m1/s1

InChIKey:
FJKKZNIYYVEYOL-BPLDGKMQSA-N

DeepSMILES:
C=C[C@]C)CC[C@@H]O5)[C@@H]C=O)CC=CC)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOC1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxolanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.982

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Chemical structure download