Summary
IMPPAT Phytochemical identifier: IMPHY008731
Phytochemical name: Pulchellin F
Synonymous chemical names:pulchellin f
External chemical identifiers:CID:101297602
Chemical structure information
SMILES:
C/C=C(C(=O)O[C@@H]1C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]2C(=C)[C@H]1O)/CInChI:
InChI=1S/C20H26O5/c1-6-10(2)18(22)25-16-9-20(5)8-15-13(11(3)19(23)24-15)7-14(20)12(4)17(16)21/h6,13-17,21H,3-4,7-9H2,1-2,5H3/b10-6-/t13-,14+,15-,16-,17-,20+/m1/s1InChIKey:
WQDAWTVPENXPFQ-DGKDRAMNSA-NDeepSMILES:
C/C=CC=O)O[C@@H]C[C@]C)C[C@H]OC=O)C=C)[C@H]5C[C@H]9C=C)[C@H]%13O))))))))))))))))/CFunctional groups:
C/C=C(/C)C(=O)OC, C=C(C)C, C=C1CCOC1=O, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CCCC2CC3OC(=O)C(=C)C3CC12Scaffold Graph/Node level:
CC1CCCC2CC3OC(O)C(C)C3CC12Scaffold Graph level:
CC1CC2CC3CCCC(C)C3CC2C1C
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene lactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Eudesmane sesquiterpenoids
NP-Likeness score: 3.269
Chemical structure download