AntibioticMech

crambescidin 800

CHEBI:65666 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

An organic heteropentacyclic guanidine alkaloid isolated from the marine sponge Crambe crambe and Batzella. 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:35681 CHEBI:35681
• CHEBI:38164 CHEBI:38164
• CHEBI:50994 CHEBI:50994

Chemical structure

Computed structure properties

Molecular formula	C45H80N6O6
Charge	0
Average mass	801.171 Da
Monoisotopic mass	800.61393 Da
Source	ChEBI
InChIKey	PPZWAJHYVRKUKB-BPXWMNIUSA-N

SMILES

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

InChI

InChI=1S/C45H80N6O6/c1-3-38-22-16-17-27-44(57-38)33-36-24-25-39-41(45(28-19-21-35(2)56-45)49-43(48-44)51(36)39)42(54)55-32-18-14-12-10-8-6-4-5-7-9-11-13-15-23-40(53)50(31-20-29-46)34-37(52)26-30-47/h16,22,35-39,41,52H,3-15,17-21,23-34,46-47H2,1-2H3,(H,48,49)/t35-,36+,37+,38+,39-,41-,44+,45-/m1/s1

Also called

• 16-{[(2S)-4-amino-2-hydroxybutyl](3-aminopropyl)amino}-16-oxohexadecyl (2S,2a'R,3'S,4'R,6''R,7S,8a'S)-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.

• patent:EP1204666
• patent:US5756734
• patent:US5952332
• patent:WO0100626

Activity roles

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

• CHEBI:38068 CHEBI:38068
• 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:65666	crambescidin 800	antibioticmech:chebi-2fc3d40785	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.