Tetrandrine

Ontology mapping

Cas rn: 518-34-3
Data source: CultureBotHT compounds_to_cas.csv
Retrieval date: 2026-04-29T06:34:31.158938+00:00
Molecular formula: C38H42N2O6
Inchi: InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
Smiles: COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).

Timestamp	Curator	Action	New status	Changes
2026-04-29T06:34:31.158938+00:00	audit_cas_chebi_followup	CREATED_FROM_CAS_LOOKUP	MAPPED	Created from CultureBotHT CAS-RN=518-34-3; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
2026-05-01T07:35:36.576853+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:32.647827+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_CHEBI_CHEMISTRY		molecular_formula=C38H42N2O6; inchi=InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-2; smiles=COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc
2026-05-02T03:12:18.795163+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-08-24T00:00:00+00:00	regrade_synonym_matches	REGRADED_TO_CAS_RN_LOOKUP		mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP (#317). The record was created by an explicit CAS-to-ChEBI lookup and its current CAS RN 518-34-3 uniquely resolves by ChEBI xref to CHEBI:49 '(+)-Tetrandrine'. CAS_RN_LOOKUP records the method that established this mapping; a lexical grade would discard that provenance. ontology_id is unchanged. The own-identifier SSSOM predicate remains skos:exactMatch under Rule D (#438), independently of mapping quality.