Ribasine
PubChem CID: 5459059
Connections displayed (default: 10).
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| Compound Synonyms | Ribasine, Grandiflorine, Limogine, Deoxyhimalayamine, (+)-Ribasine, NSC607979, NSC 607979, 87099-54-5, (1S,12R,14S)-13-methyl-5,7,17,19,25-pentaoxa-13-azaheptacyclo[12.10.1.01,12.02,10.04,8.015,23.016,20]pentacosa-2,4(8),9,15(23),16(20),21-hexaene, 6H-6a,14-Epoxy-1,3-dioxolo(4,5-i)(1,3)dioxolo(5,6)indeno(2,1-c)(2)benzazepine, 12,12a,13,14-tetrahydro-13-methyl-, (6aS,12aR,14S)-, 6H-6a,14-Epoxy-1,3-dioxolo(4,5-i)(1,3)dioxolo(5,6)indeno(2,1-c)(2)benzazepine, 12,12a,13,14-tetrahydro-13-methyl-, (6aS-(6aalpha,12abeta,14alpha))-, (1S,12R,14S)-13-methyl-5,7,17,19,25-pentaoxa-13-azaheptacyclo(12.10.1.01,12.02,10.04,8.015,23.016,20)pentacosa-2,4(8),9,15(23),16(20),21-hexaene, AKOS040751950, [6aS,(+)]-12,12aalpha,13,14-Tetrahydro-13-methyl-6H-6abeta,14beta-epoxy-1,3-dioxolo[4,5-i][1,3]dioxolo[5,6]indeno[2,1-c][2]benzazepine |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 617.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,12R,14S)-13-methyl-5,7,17,19,25-pentaoxa-13-azaheptacyclo[12.10.1.01,12.02,10.04,8.015,23.016,20]pentacosa-2,4(8),9,15(23),16(20),21-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C20H17NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HJDZNSLTBDNJJW-UXPWSPDFSA-N |
| Fcsp3 | 0.4 |
| Logs | -5.44 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.702 |
| Compound Name | Ribasine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 351.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 351.111 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 351.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.016858061538462 |
| Inchi | InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1 |
| Smiles | CN1[C@@H]2CC3=CC4=C(C=C3[C@@]25CC6=C([C@@H]1O5)C7=C(C=C6)OCO7)OCO4 |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Nipponicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Spruceana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dendrobium Amplum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Erythrophleum Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Horsfieldia Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Nuxia Sphaerocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all