herquline A
CHEBI:229724
·resolve ·ANTIVIRAL
·EXACT
SEEDED
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.
Chemical structure
Computed structure properties
| Molecular formula | C19H26N2O2 |
|---|
| Charge | 0 |
|---|
| Average mass | 314.429 Da |
|---|
| Monoisotopic mass | 314.19943 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | UFKNDVKQCSBIQE-OCANJJRCSA-N |
|---|
SMILES
[H][C@@]12CC3=C[C@@]([H])(C(=O)CC3)[C@@]3([H])C(=O)CC[C@]4([H])C[C@@]([H])(CN1C)N(C2)[C@@]43[H]
InChI
InChI=1S/C19H26N2O2/c1-20-9-14-8-12-3-5-17(23)18-15-7-11(2-4-16(15)22)6-13(20)10-21(14)19(12)18/h7,12-15,18-19H,2-6,8-10H2,1H3/t12-,13+,14+,15+,18+,19+/m1/s1
Also called
- (2S,5S,11R,11aR,14aR,14bS)-16-methyldodecahydro-4H-5,2-(epiminomethano)-11,7-(metheno)azacycloundecino[3,2,1-hi]indole-10,12-dione (EXACT_SYNONYM)— chebi
- herquline (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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:229724 |
herquline A |
antibioticmech:chebi-f7dbd228a5 |
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.