6-Deoxyisojacareubin
PubChem CID: 5464641
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-Deoxyisojacareubin, 26486-92-0, 6,11-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one, 6,11-Dihydroxy-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthen-7-one, 6,11-dihydroxy-3,3-dimethylpyrano(2,3-c)xanthen-7-one, starbld0005981, CHEMBL3327040, BBA48692, HY-N8475, AKOS040761198, DA-49925, CS-0144661, AN-706/21186001, 6,11-dihydroxy-3,3-dimethyl-pyrano[2,3-c]xanthen-7-one, 3H,7H-Pyrano[2,3-c]xanthen-7-one, 6,11-dihydroxy-3,3-dimethyl- |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 528.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 6,11-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C18H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XWRLBJDPJRDNKF-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.752 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.193 |
| Compound Name | 6-Deoxyisojacareubin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.904425782608695 |
| Inchi | InChI=1S/C18H14O5/c1-18(2)7-6-9-13(23-18)8-12(20)14-15(21)10-4-3-5-11(19)16(10)22-17(9)14/h3-8,19-20H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all