Summary

IMPPAT Phytochemical identifier: IMPHY016939

Phytochemical name: 3beta-Hydroxy-delta-cadinene

Synonymous chemical names:
3β-hydroxy-δ-cadinene

External chemical identifiers:
CID:101615233

---

Chemical structure information

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

InChI:
InChI=1S/C15H24O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7,9,13-16H,5-6,8H2,1-4H3/t13-,14+,15+/m0/s1

InChIKey:
SZLBILANKSILEW-RRFJBIMHSA-N

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

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC=C2CC1

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: 2.412

---

Chemical structure download