Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000264

Phytochemical name: Alhanol

Synonymous chemical names:
alkanol, alhanol

External chemical identifiers:
CID:CID_13944249, ZINC:ZINC000238752874

---

Chemical structure information

SMILES:
C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)[C@@H](C[C@@H]1O)O)C

InChI:
InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9-11,13,16-17H,4-6H2,1-3H3/t7-,9-,10+,11-,13-,15-/m0/s1

InChIKey:
FTWSMHMWRDSQDU-GYNAIRNASA-N

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

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC3CCCC=C3C2O1

Scaffold Graph/Node level:
OC1CC2CCC3CCCCC3C2O1

Scaffold Graph level:
CC1CC2CCC3CCCCC3C2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.216

---

Chemical structure download