AntibioticMech

crambescidin 826

CHEBI:65667 ·resolve ·ANTIVIRAL ·EXACT SEEDED

An organic heteropentacyclic guanidine alkaloid isolated from maringe sponge Monanchora sp. It exhibits anti-HIV-1 and anti-HSV-1 activity. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:22315 CHEBI:22315
• CHEBI:24436 CHEBI:24436
• CHEBI:29347 CHEBI:29347
• CHEBI:33308 CHEBI:33308
• CHEBI:33599 CHEBI:33599
• CHEBI:38164 CHEBI:38164
• CHEBI:50994 CHEBI:50994

Chemical structure

Computed structure properties

Molecular formula	C47H82N6O6
Charge	0
Average mass	827.209 Da
Monoisotopic mass	826.62958 Da
Source	ChEBI
InChIKey	FIZFMEDRNMJYPL-XMXBVVCASA-N

SMILES

[H][C@]12CC[C@]3([H])[C@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCC(N)=O)[C@]4(CCC[C@@H](C)O4)N=C(N[C@]4(CCC=C[C@H](CC)O4)C1)N23

InChI

InChI=1S/C47H82N6O6/c1-3-39-25-18-19-30-46(59-39)36-38-28-29-40-43(47(31-21-24-37(2)58-47)51-45(50-46)53(38)40)44(56)57-35-20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-42(55)52(34-23-32-48)33-22-26-41(49)54/h18,25,37-40,43H,3-17,19-24,26-36,48H2,1-2H3,(H2,49,54)(H,50,51)/t37-,38+,39+,40-,43-,46+,47-/m1/s1

Also called

• 18-[(4-amino-4-oxobutyl)(3-aminopropyl)amino]-18-oxooctadecyl (2R,2a'S,3'R,4'S,6''S,7R,8a'R)-7-ethyl-6''-methyl-1',2',2a',3',3'',4,4'',5'',6'',7,8',8a'-dodecahydro-3H,6'H-dispiro[oxepine-2,7'-[5,6,8b] triazaacenaphthylene-4',2''-pyran]-3'-carboxylate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• chemspider:10223863
• reaxys:9835644

Activity roles

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

• CHEBI:64947 CHEBI:64947
• CHEBI:64953 CHEBI:64953

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:65667	crambescidin 826	antibioticmech:chebi-9b6da81dca	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. 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.