sch 54445

CHEBI:66180 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

An organic heteroheptacyclic compound isolated from the fermentation culture broth of Actinoplanes sp. It is a broad-spectrum antifungal agent. — 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.

Label unavailable CHEBI:24631
Label unavailable CHEBI:24995
Label unavailable CHEBI:25698
Label unavailable CHEBI:33853
Label unavailable CHEBI:35681
Label unavailable CHEBI:36683
Label unavailable CHEBI:52157
Label unavailable CHEBI:59770

Chemical structure

Computed structure properties
Molecular formula	C30H29ClN2O9
Charge	0
Average mass	597.02 Da
Monoisotopic mass	596.15616 Da
Source	ChEBI
InChIKey	LGOPVBMUGSRUOT-NLGWJYKOSA-N

SMILES

[H][C@@]12Cc3c(c(O)c4c(=O)n(N)c(C(C)CC)cc4c3Cl)-c3c(O)c4c(c(c31)OCO2)O[C@]1([H])[C@H](OC)C=C[C@H](O)[C@]1([H])C4=O

InChI

InChI=1S/C30H29ClN2O9/c1-4-10(2)13-7-11-18(30(38)33(13)32)24(35)17-12(23(11)31)8-16-20-21(17)26(37)22-25(36)19-14(34)5-6-15(39-3)27(19)42-29(22)28(20)41-9-40-16/h5-7,10,14-16,19,27,34-35,37H,4,8-9,32H2,1-3H3/t10?,14-,15+,16+,19+,27+/m0/s1

Also called

(1S,4R,4aS,8aR,17aS)-13-amino-12-(butan-2-yl)-10-chloro-1,15,16-trihydroxy-4-methoxy-4a,8a,13,17a-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17(4H,9H)-dione (EXACT_SYNONYM)— chebi

Activity roles

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

antifungal agent 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:66180`	sch 54445	`antibioticmech:chebi-1a4006f14f`	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 (YAML).

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