Riccardin C
PubChem CID: 10070992
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| Compound Synonyms | Riccardin C, 84575-08-6, 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol, Riccardi C, R9TH5VM6BD, CHEMBL411317, SCHEMBL22704770, BDBM23839, DTXSID101030291, Q7322888, 1,2,13,14-Tetrahydro-3,6:15,18-dietheno-8,12-metheno-12H-7-benzoxacycloeicosin-9,17,21-triol, 14-oxapentacyclo[20.2.2.2^{10,13}.1^{15,19}.0^{2,7}]nonacosa-1(25),2(7),3,5,10,12,15,17,19(27),22(26),23,28-dodecaene-5,16,24-triol, 14-oxapentacyclo[20.2.2.2{10,13}.1{15,19}.0{2,7}]nonacosa-1(24),2,4,6,10,12,15(27),16,18,22,25,28-dodecaene-5,16,24-triol, 3,6:15,18-Dietheno-8,12-metheno-12H-7-benzoxacycloeicosin-9,17,21-triol, 1,2,13,14-tetrahydro- |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q13133, P55055, n.a. |
| Iupac Name | 14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol |
| Prediction Hob | 1.0 |
| Target Id | NPT1794, NPT1746 |
| Xlogp | 6.5 |
| Molecular Formula | C28H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JMKSVONWZFVEAI-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.515 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.33 |
| Compound Name | Riccardin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 424.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.134475200000001 |
| Inchi | InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2 |
| Smiles | C1CC2=C(C=CC(=C2)O)C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=C3)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lunularia Cruciata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Marchantia Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Medicago Polymorpha (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Oocystis Polymorpha (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Tectaria Polymorpha (Plant) Rel Props:Reference: