Summary

IMPPAT Phytochemical identifier: IMPHY004196

Phytochemical name: Cinnzeylanol

Synonymous chemical names:
cinnazeylanol

External chemical identifiers:
CID:44559448, ChEMBL:CHEMBL463605, ChEBI:169400, ZINC:ZINC000040392440

---

Chemical structure information

SMILES:
C[C@H]1CC[C@]2([C@@]3([C@@H]1O)O[C@@]1([C@@]4([C@@]3(O)[C@@]([C@@]2(C)C1)(O)C[C@]4(O)C(C)C)C)O)O

InChI:
InChI=1S/C20H32O7/c1-10(2)15(22)9-17(24)13(4)8-18(25)14(15,5)20(17,26)19(27-18)12(21)11(3)6-7-16(13,19)23/h10-12,21-26H,6-9H2,1-5H3/t11-,12+,13-,14+,15-,16-,17+,18-,19+,20+/m0/s1

InChIKey:
TVHZPQAYPSOHQT-AEOFTGFYSA-N

DeepSMILES:
C[C@H]CC[C@][C@@][C@@H]6O))O[C@@][C@@][C@@]5O)[C@@][C@@]8C)C6))O)C[C@]5O)CC)C))))))C))O))))O

Functional groups:
CO, C[C@](C)(O)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC23OC4CC(C5CCC4C52)C3C1

Scaffold Graph/Node level:
C1CCC23OC4CC(C5CCC4C52)C3C1

Scaffold Graph level:
C1CCC23CC4CC(C5CCC4C52)C3C1

---

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: Sesquiterpenoids

NP Classifier Class: Hirsutane sesquiterpenoids

NP-Likeness score: 2.946

---

Chemical structure download