Lycorine
PubChem CID: 72378
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| Compound Synonyms | lycorine, 476-28-8, Amarylline, Galanthidine, Narcissine, Licorine, (-)-Lycorine, NSC 401360, EINECS 207-503-6, UNII-I9Q105R5BU, CHEBI:6601, I9Q105R5BU, GNF-PF-4974, LYCORINE [MI], NSC401360, NSC683873, NSC-401360, NSC-683873, Lycoran-1-alpha,2-beta-diol, 3,3-alpha-didehydro-, CHEMBL400092, Lycoran-1alpha,2beta-diol, 3,3a-didehydro-, 9,10-(methylenedioxy)-3,12-didehydrogalanthan-1alpha,2beta-diol, DTXSID60197208, Galanthan-1,2-diol, 3,12-didehydro-9,10-(methylenebis(oxy))-, (1-alpha,2-beta)-, (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol, (1S,2S,3a1S,12bS)-2,3a1,4,5,7,12b-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, (1S,2S,12bS,12cS)-2,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, Lycoran-1.alpha.,2.beta.-diol, 3,3a-didehydro-, (1S,2S,12BS,12CS)-2,4,5,7,12B,12C-HEXAHYDRO-1H-(1,3)DIOXOLO(4,5-J)PYRROLO(3,2,1-DE)PHENANTHRIDINE-1,2-DIOL, MFCD00243111, 3,3a-Didehydrolycoran-1alpha,2beta-diol, Likorin, (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo(10.6.1.02,10.04,8.015,19)nonadeca-2,4(8),9,15-tetraene-17,18-diol, MFCD00221746, 3,2.beta.-diol, BSPBio_001302, KBioGR_000022, KBioSS_000022, SCHEMBL626071, 3,4-Didehydro-11,12-[methylenebis(oxy)]-galanthan-1.alpha.,2.beta.-diol, BCBcMAP01_000100, KBio2_000022, KBio2_002590, KBio2_005158, KBio3_000043, KBio3_000044, DTXCID30119699, Galanthan-1,2-diol, 3,12-didehydro-9,10-[methylenebis(oxy)]-, (1.alpha.,2.beta.)-, Galanthan-1,2-diol, 3,4-didehydro-11,12-[methylenebis(oxy)]-, (1.alpha.,2.beta.)-, XGVJWXAYKUHDOO-DANNLKNASA-N, Bio2_000022, Bio2_000502, HMS1361B04, HMS1791B04, HMS1989B04, HMS3402B04, HMS3885I12, 2,4,5,7,12b,12c-Hexahydro-1H-(1,3)-dioxolo(4,5-j)pyrrolo(3,2,1-de)phenanthridine-1,2-diol-, [1S-(1.alpha.,2.beta.,12b.beta.,12c.alpha.)]-, HY-N0288, MSK40280, BDBM50221066, NSC781764, s3903, Lycoran-1.alpha., 3,3a-didehydro-, AKOS000278045, CCG-208232, FL65705, NSC-781764, Galanthan-1,2-diol, 3,12-didehydro-9,10-(methylenebis(oxy))-, (1alpha,2beta)-, IDI1_033772, QTL1_000052, SMP1_000184, NCGC00163413-01, NCGC00163413-02, NCGC00163413-03, NCGC00163413-07, MS-24104, NCI60_003767, LycorineGalanthidine, Narcissine, Licorine, CS-0008781, NS00031710, C08532, Q420314, Lycoran-1alpha,2beta-diol, 3,3a-didehydro-(8CI), BRD-K64909280-001-02-7, 3,12-[methylenebis(oxy)]-galanthan-1.alpha.,2.beta.-diol, 3,4-Didehydro-11,12-(methylenebis(oxy))-galanthan-1alpha,2beta-diol, Galanthan-1, 3,12-didehydro-9,10-[methylenebis(oxy)]-, (1.alpha.,2.beta.)-, Galanthan-1, 3,4-didehydro-11,12-[methylenebis(oxy)]-, (1.alpha.,2.beta.)-, Galanthan-1,2-diol, 3,12-didehydro-9,10-(methylenebis(oxy))-, (1-alpha,2-beta)-(9CI), Galanthan-1,2-diol, 3,4-didehydro-11,12-(methylenebis(oxy))-, (1alpha,2beta)-, (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.0?,??.0?,?.0??,??]nonadeca-2,4(8),9,15-tetraene-17,18-diol, 1H-[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, 2,4,5,7,12b,12c-hexahydro-, (1S,2S,12bS,12cS)-, 2,4,5,7,12b,12c-Hexahydro-1H-(1,3)-dioxolo(4,5-j)pyrrolo(3,2,1-de)phenanthridine-1,2-diol-, (1S-(1alpha,2beta,12bbeta,12calpha))-, 2,4,5,7,12b,12C-Hexahydro-1H-(1,3)dioxolo-(4,5-J)pyrrolo(3,2,1-de)phenanthridine-1,2-diol, 2,4,5,7,12b,12c-Hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, (1S,2S,12bS, 12cS)-, 2,5,7,12b,12c-Hexahydro-1H-[1,3]-dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, 207-503-6, 3KD |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 62.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3CC4CCC5CCCC(C3CC2C1)C54 |
| Np Classifier Class | Amarylidaceae alkaloids, Indolizidine alkaloids |
| Deep Smiles | O[C@H]C=CCCN[C@H]5[C@@H][C@@H]9O))cccOCOc5cc9C%13 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Amaryllidaceae alkaloids |
| Scaffold Graph Node Level | C1CC2CCN3CC4CC5OCOC5CC4C(C1)C23 |
| Classyfire Subclass | Lycorine-type amaryllidaceae alkaloids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P22303, n.a., Q16637, Q96KQ7, P49798, Q9Y6L6, Q9NPD5, O42275, P81908 |
| Iupac Name | (1S,17S,18S,19S)-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Target Id | NPT204, NPT93 |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H17NO4 |
| Scaffold Graph Node Bond Level | C1=C2CCN3Cc4cc5c(cc4C(CC1)C23)OCO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XGVJWXAYKUHDOO-DANNLKNASA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5 |
| Logs | -1.7 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.233 |
| Synonyms | lycorine, lycorine (narcissine), narcisine, narcissine |
| Esol Class | Very soluble |
| Functional Groups | CC(C)=CC, CN(C)C, CO, c1cOCO1 |
| Compound Name | Lycorine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 287.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 287.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 287.31 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.8201815714285714 |
| Inchi | InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1 |
| Smiles | C1CN2CC3=CC4=C(C=C3[C@H]5[C@H]2C1=C[C@@H]([C@H]5O)O)OCO4 |
| Nring | 5.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids, Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Amaryllidaceae (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Amaryllis Belladonna (Plant) Rel Props:Reference:ISBN:9788172360481 - 3. Outgoing r'ship
FOUND_INto/from Angelica Hirsutiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Anthoceros Punctatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cinchona Officinalis (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Clausena Suffruticosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Clivia Miniata (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Corydalis Chaerophylla (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Corynandra Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Crinum Amabile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Crinum Jagus (Plant) Rel Props:Reference:ISBN:9788172362133 - 13. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Reference:ISBN:9770972795006 - 14. Outgoing r'ship
FOUND_INto/from Crinum Lorifolium (Plant) Rel Props:Reference:ISBN:9788185042114 - 15. Outgoing r'ship
FOUND_INto/from Crinum Viviparum (Plant) Rel Props:Reference:ISBN:9788172360481 - 16. Outgoing r'ship
FOUND_INto/from Crinum Yemense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Curculigo Orchioides (Plant) Rel Props:Reference:ISBN:9788172362140; ISBN:9788185042084 - 18. Outgoing r'ship
FOUND_INto/from Dalbergia Candenatensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Datura Wrightii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Dryopteris Dilatata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Elaeocarpus Sphaericus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Ferula Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Helichrysum Asperum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Hippeastrum Puniceum (Plant) Rel Props:Reference:ISBN:9788185042053 - 25. Outgoing r'ship
FOUND_INto/from Hymenocallis Littoralis (Plant) Rel Props:Reference:ISBN:9788172360481 - 26. Outgoing r'ship
FOUND_INto/from Leucojum Aestivum (Plant) Rel Props:Reference:ISBN:9788172362461 - 27. Outgoing r'ship
FOUND_INto/from Ligularia Altaica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Ligularia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Lophopetalum Toxicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Lupinus Holosericeus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Reference:ISBN:9788185042145 - 32. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Narcissus Tazetta (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729 - 34. Outgoing r'ship
FOUND_INto/from Polianthes Tuberosa (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 35. Outgoing r'ship
FOUND_INto/from Pyrolirion Flavum (Plant) Rel Props:Reference:ISBN:9788185042138 - 36. Outgoing r'ship
FOUND_INto/from Scadoxus Multiflorus (Plant) Rel Props:Reference:ISBN:9788185042053; ISBN:9788185042138; ISBN:9788185042145 - 37. Outgoing r'ship
FOUND_INto/from Searsia Leptodictya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 38. Outgoing r'ship
FOUND_INto/from Stachys Aegyptiaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Zephyranthes Candida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 40. Outgoing r'ship
FOUND_INto/from Zephyranthes Carinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all