Summary

IMPPAT Phytochemical identifier: IMPHY003216

Phytochemical name: Coronarin A

Synonymous chemical names:
coronarin a

External chemical identifiers:
CID:24851535, ChEMBL:CHEMBL64407, ZINC:ZINC000026163116, MolPort-035-705-812

---

Chemical structure information

SMILES:
C=C1[C@@H](O)C[C@@H]2[C@]([C@H]1/C=C/c1cocc1)(C)CCCC2(C)C

InChI:
InChI=1S/C20H28O2/c1-14-16(7-6-15-8-11-22-13-15)20(4)10-5-9-19(2,3)18(20)12-17(14)21/h6-8,11,13,16-18,21H,1,5,9-10,12H2,2-4H3/b7-6+/t16-,17-,18-,20+/m0/s1

InChIKey:
RHCBUXSXDFNUAG-UDMCIFMYSA-N

DeepSMILES:
C=C[C@@H]O)C[C@@H][C@][C@H]6/C=C/ccocc5))))))))C)CCCC6C)C

Functional groups:
C=C(C)C, CO, c/C=C/C, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCCC2C1C=Cc1ccoc1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1CCC1CCOC1

Scaffold Graph level:
CC1CCC2CCCCC2C1CCC1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Norlabdane diterpenoids

NP-Likeness score: 3.057

---

Chemical structure download