Summary

IMPPAT Phytochemical identifier: IMPHY010795

Phytochemical name: Salviacoccin

Synonymous chemical names:
salviacoccin

Chemical structure information

SMILES:
O=C1OC[C@@]23[C@H]1C=CC[C@]3(O)[C@@]1(C(=CC2)C(=O)O[C@H](C1)c1cocc1)C

InChI:
InChI=1S/C20H20O6/c1-18-9-15(12-5-8-24-10-12)26-17(22)13(18)4-7-19-11-25-16(21)14(19)3-2-6-20(18,19)23/h2-5,8,10,14-15,23H,6-7,9,11H2,1H3/t14-,15+,18-,19+,20-/m0/s1

InChIKey:
GIJQQHRWYJFIMX-DJLVLGKWSA-N

DeepSMILES:
O=COC[C@][C@H]5C=CC[C@]6O)[C@@]C=CC%10))C=O)O[C@H]C6)ccocc5)))))))))C

Functional groups:
CC=C(C)C(=O)OC, CC=CC, CO, COC(C)=O, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC(c2ccoc2)CC2C1=CCC13COC(=O)C1C=CCC23

Scaffold Graph/Node level:
OC1OC(C2CCOC2)CC2C1CCC13COC(O)C1CCCC23

Scaffold Graph level:
CC1CC(C2CCCC2)CC2C1CCC13CCC(C)C1CCCC23

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Colensane and Clerodane diterpenoids

NP-Likeness score: 3.009

---

Chemical structure download