Oridonin
PubChem CID: 5321010
Connections displayed (default: 10).
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| Compound Synonyms | Oridonin, 28957-04-2, Oridonine, ISODONOL, lasidonin, Rubescensin A, UNII-0APJ98UCLQ, 0APJ98UCLQ, PURE ORIDONIN, NSC 250682, CHEMBL1164920, CHEBI:138236, (14R)-7-alpha,20-Epoxy-1-alpha,6-beta,7,14-tetrahydroxykaur-16-en-15-one, (1-alpha,6-beta,7-alpha,14R)-7,20-Epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one, Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-, (1alpha,6beta,7alpha,14R)-, NSC-250682, (1alpha,6beta,7alpha,14R)-7,20-epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one, KAUR-16-EN-15-ONE, 7-alpha,20-EPOXY-1-alpha,6-beta,7,14-TETRAHYDROXY-, (14R)-, KAUR-16-EN-15-ONE, 7.ALPHA.,20-EPOXY-1.ALPHA.,6.BETA.,7,14-TETRAHYDROXY-, (14R)-, (1alpha,5beta,6beta,7alpha,8alpha,9beta,10alpha,13alpha,14R)-1,6,7,14-tetrahydroxy-7,20-epoxykaur-16-en-15-one, KAUR-16-EN-15-ONE, 7,20-EPOXY-1,6,7,14-TETRAHYDROXY-, (1.ALPHA.,6.BETA.,7.ALPHA.,14R)-, NSC-250682, Isodonol, Isodonol, 7a,20-Epoxy-1a,6b,7,14-tetrahydroxy-Kaur-16-en-15-one, Oridonin (Standard), ORIDONIN [INCI], Curator_000006, Oridonin - Bio-X trade mark, SCHEMBL19217133, GTPL13088, HY-N0004R, DTXSID201021760, HY-N0004, BDBM50605174, AKOS025310967, CCG-208386, FO09522, AS-15421, BO300107, CS-0007086, O0387, H10339, Q27236543, Z2037317501, (1a,6b,7a,14R)-7,20-Epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one, KAUR-16-EN-15-ONE, 7ALPHA,20-EPOXY-1ALPHA,6BETA,7,14-TETRAHYDROXY-, (14R)-, (1, A,6, A,7, A,14R)-1,5,6,14-Tetrahydroxy-4,4-dimethyl-8-methylenedecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-7(8H)-one, (1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one, 631-100-8 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 717.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C20H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDHTXBWLVGWJFT-XKCURVIJSA-N |
| Fcsp3 | 0.85 |
| Logs | -4.076 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.967 |
| Compound Name | Oridonin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 364.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1499156000000004 |
| Inchi | InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,15+,16-,18+,19-,20+/m0/s1 |
| Smiles | CC1(CC[C@@H]([C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)O)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isodon Rosthornii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Isodon Rubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rosa Roxburghii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients