N-butylharmine

CHEBI:66002 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A member of the class of β-carbolines that is 9H-β-carboline substituted by a butyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity. — 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:35618 CHEBI:35618
CHEBI:60834 CHEBI:60834
CHEBI:72588 CHEBI:72588

Chemical structure

Computed structure properties
Molecular formula	C17H20N2O
Charge	0
Average mass	268.36 Da
Monoisotopic mass	268.15756 Da
Source	ChEBI
InChIKey	ZTHNVHJIFDQKKE-UHFFFAOYSA-N

SMILES

CCCCn1c2cc(OC)ccc2c2ccnc(C)c21

InChI

InChI=1S/C17H20N2O/c1-4-5-10-19-16-11-13(20-3)6-7-14(16)15-8-9-18-12(2)17(15)19/h6-9,11H,4-5,10H2,1-3H3

Also called

9-butyl-7-methoxy-1-methyl-9H-β-carboline (EXACT_SYNONYM)— chebi
9-butyl-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:8493985

Activity roles

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

CHEBI:64946 CHEBI:64946

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:66002`	N-butylharmine	`antibioticmech:chebi-6050e33b70`	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.