Summary

IMPPAT Phytochemical identifier: IMPHY017821

Phytochemical name: 8-alpha-11-Elemodiol

Synonymous chemical names:
8-α-11-elemodio, 8α-11-elemodiol

External chemical identifiers:
CID:91746673

---

Chemical structure information

SMILES:
C=C[C@@H]1C[C@@H](O)C(C[C@H]1C(=C)C)C(O)(C)C

InChI:
InChI=1S/C14H24O2/c1-6-10-7-13(15)12(14(4,5)16)8-11(10)9(2)3/h6,10-13,15-16H,1-2,7-8H2,3-5H3/t10-,11+,12?,13-/m1/s1

InChIKey:
QKVCTWTVHSDDGI-ZGVCCVRISA-N

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

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Elemane sesquiterpenoids

NP-Likeness score: 2.233

---

Chemical structure download