leucascandrolide A congener

CHEBI:82622 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A synthetic macrolide that is an analogue of the marine metabolite leucascandrolide A that exhibits comparable antiproliferative properties. — 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:23003 CHEBI:23003
CHEBI:25106 CHEBI:25106
CHEBI:26979 CHEBI:26979
CHEBI:36468 CHEBI:36468
CHEBI:46812 CHEBI:46812
CHEBI:51702 CHEBI:51702
CHEBI:72588 CHEBI:72588

Chemical structure

Computed structure properties
Molecular formula	C36H54N2O10
Charge	0
Average mass	674.832 Da
Monoisotopic mass	674.37785 Da
Source	ChEBI
InChIKey	OHDYRIXQCGVPSA-HTNAZZBXSA-N

SMILES

[H][C@]12CCC[C@@]([H])(C[C@H](CCCCC)OC(=O)C[C@@]3([H])C[C@H](OC(=O)/C=C\CCc4coc(/C=C\CNC(=O)OC)n4)C[C@@]([H])(C[C@H](OC)C1)O3)O2

InChI

InChI=1S/C36H54N2O10/c1-4-5-6-12-28-18-26-13-9-14-27(45-26)19-29(42-2)20-30-21-31(22-32(46-30)23-35(40)47-28)48-34(39)16-8-7-11-25-24-44-33(38-25)15-10-17-37-36(41)43-3/h8,10,15-16,24,26-32H,4-7,9,11-14,17-23H2,1-3H3,(H,37,41)/b15-10-,16-8-/t26-,27-,28-,29+,30+,31+,32+/m0/s1

Also called

(1S,3R,5R,7R,9R,13S,15S)-3-methoxy-11-oxo-13-pentyl-12,19,20-trioxatricyclo[13.3.1.15,9]icos-7-yl (2Z)-5-(2-{(1Z)-3-[(methoxycarbonyl)amino]prop-1-en-1-yl}-1,3-oxazol-4-yl)pent-2-enoate (EXACT_SYNONYM)— chebi

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:82622`	leucascandrolide A congener	`antibioticmech:chebi-227a7c9274`	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.