Strictosamide
PubChem CID: 10345799
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| Compound Synonyms | Strictosamide, 23141-25-5, (1S,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one, CHEMBL4438424, DTXSID60438421, 5H-Indolo[2,3-a]pyrano[3,4-g]quinolizin-5-one, 1-ethenyl-2-(beta-D-glucopyranosyloxy)-1,2,7,8,13,13b,14,14a-octahydro-, (1R,2S,13bS,14aS)-, (1S,18S,19R,20S)-19-ethenyl-18-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-17-oxa-3,13-diazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-2(10),4,6,8,15-pentaen-14-one, 3-epi-Vincosamide, Isovincoside lactam, Strictosidine lactam, SCHEMBL7906980, CHEBI:80684, DTXCID20389243, HY-N1198, BDBM50531272, AKOS032948641, 1,2,7,8,13,13BBETA,14,14AALPHA-OCTAHYDRO-1BETA-VINYL-2ALPHA-(BETA-D-GLUCOPYRANOSYLOXY)-5H-INDOLO[2,3-A]PYRANO[3,4-G]QUINOLIZINE-5-ONE, DA-78062, MS-29249, XS163684, CS-0016490, E80799, Q27149725 |
|---|---|
| Topological Polar Surface Area | 145.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 899.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1S,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one |
| Prediction Hob | 0.0 |
| Xlogp | 0.4 |
| Molecular Formula | C26H30N2O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LBRPLJCNRZUXLS-IUNANRIWSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.875 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.495 |
| Compound Name | Strictosamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 498.2 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 498.2 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 498.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.110198400000001 |
| Inchi | InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1 |
| Smiles | C=C[C@@H]1[C@@H]2C[C@H]3C4=C(CCN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC=C6N4 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Uncaria Rhynchophylla (Plant) Rel Props:Source_db:cmaup_ingredients