EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:755162 - transcrocetinate sodium

Default Structure
ChEBI IDCHEBI:755162
ChEBI Nametranscrocetinate sodium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaNa.C20H22O4.Na
Net Charge0
Average Mass372.372
Monoisotopic Mass372.13135
SMILESCC(/C=C/C=C(\C)C(=O)[O-])=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C20H24O4.2Na/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24;;/h5-14H,1-4H3,(H,21,22)(H,23,24);;/q;2*+1/p-2/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+;;
InChIKeyRMDMBHQVNHQDDD-VFWKRBOSSA-L
Roles Classification
Biological Role:
antiviral agent  A substance that destroys or inhibits replication of viruses.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
transcrocetinate sodium (CHEBI:755162) has role antineoplastic agent (CHEBI:35610)
transcrocetinate sodium (CHEBI:755162) has role antiviral agent (CHEBI:22587)
transcrocetinate sodium (CHEBI:755162) is a diterpenoid (CHEBI:23849)
Synonyms  Source
Disodium trans-crocetinateChEMBL
Transcrocetinate sodiumChEMBL
Trans sodium crocetinateChEMBL