Summary

IMPPAT Phytochemical identifier: IMPHY007609

Phytochemical name: Kaurane

Synonymous chemical names:
ent-kaurane, kaurane

External chemical identifiers:
CID:9548699, ChEBI:36539

---

Chemical structure information

SMILES:
C[C@@H]1C[C@]23C[C@@H]1CC[C@@H]3[C@@]1([C@@H](CC2)C(C)(C)CCC1)C

InChI:
InChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3/t14-,15+,16+,17-,19+,20+/m1/s1

InChIKey:
IVZWRQBQDVHDNG-XWIHJEQYSA-N

DeepSMILES:
C[C@@H]C[C@@]C[C@@H]5CC[C@@H]6[C@@][C@@H]CC%10))CC)C)CCC6)))))C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Kaurane and Phyllocladane diterpenoids, Norkaurane diterpenoids

NP-Likeness score: 3.03

---

Chemical structure download