Summary
IMPPAT Phytochemical identifier: IMPHY004209
Phytochemical name: Davanone D
Synonymous chemical names:davanone, davanone (a furanoid sesquiterpene ke]tone, davanone d, davanone-d
External chemical identifiers:CID:88556
Chemical structure information
SMILES:
C=C[C@@]1(C)CC[C@H](O1)[C@@H](C(=O)CC=C(C)C)CInChI:
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/s1InChIKey:
FJKKZNIYYVEYOL-SNPRPXQTSA-NDeepSMILES:
C=C[C@@]C)CC[C@H]O5)[C@@H]C=O)CC=CC)C)))))CFunctional groups:
C=CC, CC(C)=O, CC=C(C)C, COC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCOC1Scaffold Graph/Node level:
C1CCOC1Scaffold Graph level:
C1CCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Tetrahydrofurans
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Monoterpenoids
NP Classifier Class: Acyclic monoterpenoids
NP-Likeness score: 2.982
Chemical structure download