Summary

IMPPAT Phytochemical identifier: IMPHY011589

Phytochemical name: 7-epi-alpha-Eudesmol

Synonymous chemical names:
7-epi-.alpha.-eudesmol, 7-epi-alpha-eudesmol, 7-epi-α-eudesmol, eudesmol (7-epi-α), eudesmol (7-epi-α-)

External chemical identifiers:
CID:12304196, ChEBI:138040, ZINC:ZINC000000968474, SureChEMBL:SCHEMBL17627637

---

Chemical structure information

SMILES:
CC1=CCC[C@]2([C@H]1C[C@H](CC2)C(O)(C)C)C

InChI:
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1

InChIKey:
FCSRUSQUAVXUKK-KCQAQPDRSA-N

DeepSMILES:
CC=CCC[C@][C@H]6C[C@H]CC6))CO)C)C)))))C

Functional groups:
CC=C(C)C, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.041

---

Chemical structure download