Summary

IMPPAT Phytochemical identifier: IMPHY016127

Phytochemical name: 1-Adamantanol

Synonymous chemical names:
1-adamantanol

External chemical identifiers:
CID:64152, ChEMBL:CHEMBL2041310, ZINC:ZINC000001297856, FDASRS:P9J0B0C8ZB, SureChEMBL:SCHEMBL148421, MolPort-001-766-736

---

Chemical structure information

SMILES:
OC12CC3CC(C2)CC(C1)C3

InChI:
InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

InChIKey:
VLLNJDMHDJRNFK-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6)CCC8)C6

Functional groups:
CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph/Node level:
C1C2CC3CC1CC(C2)C3

Scaffold Graph level:
C1C2CC3CC1CC(C2)C3

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 0.325

---

Chemical structure download