actinodaphnine

CHEBI:2444 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

An organic heteropentacyclic compound 6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinoline bering additional hydroxy and methoxy substituents at positions 10 and 11 respectively. — 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:134209 CHEBI:134209
CHEBI:33853 CHEBI:33853
CHEBI:35618 CHEBI:35618
CHEBI:38164 CHEBI:38164
CHEBI:50995 CHEBI:50995

Chemical structure

Computed structure properties
Molecular formula	C18H17NO4
Charge	0
Average mass	311.337 Da
Monoisotopic mass	311.11576 Da
Source	ChEBI
InChIKey	VYJUHRAQPIBWNV-LBPRGKRZSA-N

SMILES

[H][C@]12Cc3cc(O)c(OC)cc3-c3c4c(cc(c31)CCN2)OCO4

InChI

InChI=1S/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m0/s1

Also called

(S)-11-methoxy-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinolin-10-ol (EXACT_SYNONYM)— chebi
(+)-Actinodaphnine (EXACT_SYNONYM)— chebi
1,2-Methylenedioxy-9-hydroxy-10-methoxynoraporphine (EXACT_SYNONYM)— chebi
Actinodaphine (EXACT_SYNONYM)— chebi
Actinodaphnine (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:517-69-1
kegg.compound:C09322
knapsack:C00001790
reaxys:44828

Activity roles

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

CHEBI:33282 CHEBI:33282
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:2444`	actinodaphnine	`antibioticmech:chebi-c5163c8355`	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.