Summary

IMPPAT Phytochemical identifier: IMPHY010186

Phytochemical name: 7-Desacetylforskolin

Synonymous chemical names:
deacetylforskolin

External chemical identifiers:
CID:10044542, ChEMBL:CHEMBL486619, ZINC:ZINC000025725270, SureChEMBL:SCHEMBL3130497, MolPort-003-941-050

---

Chemical structure information

SMILES:
C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](O)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)O)O

InChI:
InChI=1S/C20H32O6/c1-7-17(4)10-12(22)20(25)18(5)11(21)8-9-16(2,3)14(18)13(23)15(24)19(20,6)26-17/h7,11,13-15,21,23-25H,1,8-10H2,2-6H3/t11-,13-,14-,15-,17-,18-,19+,20-/m0/s1

InChIKey:
WPDITXOBNLYZHH-KAACEJSMSA-N

DeepSMILES:
C=C[C@@]C)CC=O)[C@][C@@]O6)C)[C@@H]O)[C@H][C@@H][C@]6C)[C@@H]O)CCC6C)C)))))))O))))O

Functional groups:
C=CC, 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: 3.151

---

Chemical structure download