Summary

IMPPAT Phytochemical identifier: IMPHY004668

Phytochemical name: ent-7alpha,12beta-Dihydroxy-16-kauren-19,6beta-olide

Synonymous chemical names:
ent-7alpha,12beta-dihydroxy-16-kauren-19,6beta-olide

External chemical identifiers:
CID:5088389

---

Chemical structure information

SMILES:
OC1CC2C3(CC1C(=C)C3)C(O)C1C3C2(C)CCCC3(C)C(=O)O1

InChI:
InChI=1S/C20H28O4/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3)15(18)14(16(20)22)24-17(19)23/h11-16,21-22H,1,4-9H2,2-3H3

InChIKey:
OSYJLXUUZYSFTC-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6C=C)C5))))CO)CCC6C)CCCC6C)C=O)O9

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CC1CCC2C1CCCC2C(=O)OC(C3)C21

Scaffold Graph/Node level:
CC1CC23CC1CCC2C1CCCC2C(O)OC(C3)C21

Scaffold Graph level:
CC1CC23CC1CCC2C1CCCC2C(C)CC(C3)C21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Kaurane and Phyllocladane diterpenoids

NP-Likeness score: 3.849

---

Chemical structure download