Lasiocarpine
fo-62d856aefad5feaa
Identity
- Type
- Neutral molecule
- CAS
- 303-34-4
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
6- (-)-Lasiocarpine
- 2-Butenoic acid, 2-methyl-, (1S,7aR)-7-[[(2R)-2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (2Z)-
- 2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, [1S-[1α(Z),7[S*(R*)],7aα]]-
- 7-Angelyl-9-lasiocarpylheliotridine
- 7-Angelyleuropine
- Europine 7-angelate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | QHOZSLCIKHUPSU-GTZNJGJUSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16+,17-,21+/m1/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)([C@@H](C)OC)C(C)(C)O)[C@H]12 |
| IUPAC name chemrof:IUPAC_name | 2-Butenoic acid, 2-methyl-, (1S,7aR)-7-[[(2R)-2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (2Z)- |
| Molecular formula chemrof:molecular_formula | C21H33NO7 |
| Molecular mass chemrof:molecular_mass | 411.495 |
| Monoisotopic mass chemrof:monoisotopic_mass | 411.2257, 411.225702 |
| SMILES string chemrof:smiles_string | CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)OC)C(C)(C)O)C12 |
Known URLs
8Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=303-34-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6382 | enrich_references.chebi_id_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1020772 | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C10341 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C10341 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00002097 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6325507 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q27107185 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 041ff940-6556-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-95e5-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 6757495b-b7fd-4d62-a962-0867999d53d5 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-95e4-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-95e6-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-95e3-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-95e1-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-98d2-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-95e2-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-98d0-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-98d3-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-98cf-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 4d9a8790-3ddd-11dd-98d1-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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