Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018056

Phytochemical name: 1,3,5-Bisabolatrien-7-ol

Synonymous chemical names:
1,3,5-Bisabolatrien-7-ol

Chemical structure information

SMILES:
CC(CCC[C@@](c1ccc(cc1)C)(O)C)C

InChI:
InChI=1S/C15H24O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h7-10,12,16H,5-6,11H2,1-4H3/t15-/m0/s1

InChIKey:
JBDWWZBHYDHBBW-HNNXBMFYSA-N

DeepSMILES:
CCCCC[C@@]cccccc6))C)))))O)C)))))C

Functional groups:
CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 0.264

---

Chemical structure download