(−)-chuangxinmycin

CHEBI:79391 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A thiinoindole that is 3,5-dihydro-2H-thiino[4,3,2-cd]indole which is substituted at positions 2 and 3 by carboxy and methyl groups, respectively (the 2R,3S diastereoisomer). — 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:25384 CHEBI:25384
CHEBI:38958 CHEBI:38958
CHEBI:79393 CHEBI:79393

Chemical structure

Computed structure properties
Molecular formula	C12H11NO2S
Charge	0
Average mass	233.292 Da
Monoisotopic mass	233.05105 Da
Source	ChEBI
InChIKey	DKHFLDXCKWDVMF-UPONEAKYSA-N

SMILES

C[C@H]1c2cnc3cccc(c23)S[C@H]1C(=O)O

InChI

InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1

Also called

(2R,3S)-3-methyl-3,5-dihydro-2H-thiino[4,3,2-cd]indole-2-carboxylic acid (EXACT_SYNONYM)— chebi
(4S,5R)-(−)-chuangxinmycin (EXACT_SYNONYM)— chebi
(−)-(4S,5R)-chuangxinmycin (EXACT_SYNONYM)— chebi
chuanghsinmycin (EXACT_SYNONYM)— chebi
chuangxinmycin (EXACT_SYNONYM)— chebi
cis-(−)-3,5-dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:63339-68-4
reaxys:7796054

Activity roles

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

CHEBI:33281 CHEBI:33281
CHEBI:33282 CHEBI:33282

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:79391`	(−)-chuangxinmycin	`antibioticmech:chebi-a9f211116d`	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.