octan-1-ol

CHEBI:16188 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

An octanol carrying the hydroxy group at position 1. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:15734 CHEBI:15734
CHEBI:37868 CHEBI:37868

Chemical structure

Computed structure properties
Molecular formula	C8H18O
Charge	0
Average mass	130.231 Da
Monoisotopic mass	130.13577 Da
Source	ChEBI
InChIKey	KBPLFHHGFOOTCA-UHFFFAOYSA-N

SMILES

CCCCCCCCO

InChI

InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

Also called

1-Octanol (EXACT_SYNONYM)— chebi
1-Oktanol (EXACT_SYNONYM)— chebi
1-hydroxyoctane (EXACT_SYNONYM)— chebi
OCTAN-1-OL (EXACT_SYNONYM)— chebi
capryl alcohol (EXACT_SYNONYM)— chebi
caprylic alcohol (EXACT_SYNONYM)— chebi
n-heptyl carbinol (EXACT_SYNONYM)— chebi
n-octan-1-ol (EXACT_SYNONYM)— chebi
primary octyl alcohol (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:111-87-5
gmelin:82528
kegg.compound:C00756
knapsack:C00001264
pdb-ccd:OC9
reaxys:1697461
umbbd.compound:c0045

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:35718 CHEBI:35718

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:16188`	octan-1-ol	`antibioticmech:chebi-aef527d95e`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.