Summary

IMPPAT Phytochemical identifier: IMPHY003651

Phytochemical name: Coleonol E

Synonymous chemical names:
coleonol e, coleonol e (1,9-dideoxyforskolin)

External chemical identifiers:
CID:101316907

---

Chemical structure information

SMILES:
C=C[C@@]1(C)CC(=O)[C@H]2[C@@](O1)(C)[C@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)CCCC1(C)C)O

InChI:
InChI=1S/C22H34O5/c1-8-20(5)12-14(24)16-21(6)11-9-10-19(3,4)17(21)15(25)18(26-13(2)23)22(16,7)27-20/h8,15-18,25H,1,9-12H2,2-7H3/t15-,16+,17-,18+,20-,21+,22-/m0/s1

InChIKey:
ZKZMDXUDDJYAIB-TWMNLGNGSA-N

DeepSMILES:
C=C[C@@]C)CC=O)[C@H][C@@]O6)C)[C@H]OC=O)C)))[C@H][C@@H][C@]6C)CCCC6C)C)))))))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCOC2CCC3CCCCC3C12

Scaffold Graph/Node level:
OC1CCOC2CCC3CCCCC3C12

Scaffold Graph level:
CC1CCCC2CCC3CCCCC3C12

---

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: Diterpenoids

NP Classifier Class: Labdane diterpenoids

NP-Likeness score: 3.241

---

Chemical structure download