7-oxohernangerine

CHEBI:66841 ·resolve ·ANTIVIRAL ·EXACT SEEDED

An oxoaporphine alkaloid that is 7H-dibenzo[de,g]quinolin-7-one substituted by a methylenedioxy group across positions 1 and 2, a methoxy group at position 11 and a hydroxy group at position 10. Isolated from Hernandia nymphaeifolia and Lindera chunii, it exhibits activity against HIV-1 integrase. — 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:132998 CHEBI:132998
CHEBI:33853 CHEBI:33853
CHEBI:35618 CHEBI:35618
CHEBI:38104 CHEBI:38104
CHEBI:38164 CHEBI:38164
CHEBI:3992 CHEBI:3992

Chemical structure

Computed structure properties
Molecular formula	C18H11NO5
Charge	0
Average mass	321.288 Da
Monoisotopic mass	321.06372 Da
Source	ChEBI
InChIKey	IVWNIIWOWTWWKH-UHFFFAOYSA-N

SMILES

COc1c(O)ccc2c1-c1c3c(cc4ccnc(c14)C2=O)OCO3

InChI

InChI=1S/C18H11NO5/c1-22-17-10(20)3-2-9-13(17)14-12-8(4-5-19-15(12)16(9)21)6-11-18(14)24-7-23-11/h2-6,20H,7H2,1H3

Also called

11-hydroxy-12-methoxy-8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:9286227

Activity roles

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

CHEBI:67268 CHEBI:67268

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:66841`	7-oxohernangerine	`antibioticmech:chebi-ec94a1f725`	2026-08-30

Mechanism summary

Mode of action: VIRAL_INTEGRASE_INHIBITION microbial target — Assigned from ChEBI role CHEBI:67268 (HIV-1 integrase inhibitor). ChEBI asserts the role on the compound. The role names a target specific to the microbe or virus — see mode_of_action_target_scope. Not a curator's mechanistic review.

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.