Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003112

Phytochemical name: cis-Cadin-4-en-7-ol

Synonymous chemical names:
cis-Cadin-4-en-7-ol, cadin-4-en-7-ol (cis), cis-cadin-4-en-7-ol

External chemical identifiers:
CID:CID_91746528

---

Chemical structure information

SMILES:
CC1=CC2C(CC1)[C@@H](C)CC[C@]2(O)C(C)C

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

InChIKey:
MUROKQYXIPVTGD-PPWQZUPISA-N

DeepSMILES:
CC=CCCCC6))[C@@H]C)CC[C@]6O)CC)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: Cadinane sesquiterpenoids

NP-Likeness score: 2.791

---

Chemical structure download