Summary

IMPPAT Phytochemical identifier: IMPHY002432

Phytochemical name: Ohchinolal

Synonymous chemical names:
ohchinolal

Chemical structure information

SMILES:
COC(=O)CC1C2(C)C(OC(=O)C(=CC)C)CC(C(C2C(C2C1(C)C1=C(C)C(CC1O2)c1ccoc1)OC(=O)C)(C)C=O)O

InChI:
InChI=1S/C34H44O10/c1-9-17(2)31(39)44-25-14-24(37)32(5,16-35)29-28(42-19(4)36)30-34(7,23(33(25,29)6)13-26(38)40-8)27-18(3)21(12-22(27)43-30)20-10-11-41-15-20/h9-11,15-16,21-25,28-30,37H,12-14H2,1-8H3

InChIKey:
JOVDKZRXWAATEG-UHFFFAOYSA-N

DeepSMILES:
COC=O)CCCC)COC=O)C=CC))C))))CCCC6CCC%10C)C=CC)CCC5O8)))cccoc5))))))))))OC=O)C)))))C)C=O)))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(CC1c1ccoc1)OC1CC3CCCCC3CC21

Scaffold Graph/Node level:
C1CCC2CC3C(CC2C1)OC1CC(C2CCOC2)CC13

Scaffold Graph level:
C1CCC(C2CC3CC4CC5CCCCC5CC4C3C2)C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Limonoids

NP-Likeness score: 3.248

---

Chemical structure download