Summary

IMPPAT Phytochemical identifier: IMPHY012587

Phytochemical name: tau-Cadinol

Synonymous chemical names:
tau- cadinol, α-epi-cadinol, τ- cadinol, τ-cadinol, τ-cadinol (7)

External chemical identifiers:
CID:12302222

---

Chemical structure information

SMILES:
CC1=C[C@H]2[C@H](CC1)[C@](C)(O)CC[C@H]2C(C)C

InChI:
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14-,15+/m0/s1

InChIKey:
LHYHMMRYTDARSZ-LJISPDSOSA-N

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

Functional groups:
CC(C)=CC, 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: Cadinane sesquiterpenoids

NP-Likeness score: 3.136

---

Chemical structure download