(6aS)-6a,9,10-trihydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one
PubChem CID: 6710643
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| Compound Synonyms | CHEBI:69196, (6aS)-6a,9,10-trihydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one, (6aS)-3,6a,10-trihydroxy-6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9(6H)-one, Spectrum_000605, Spectrum2_000710, Spectrum3_000703, Spectrum4_001503, Spectrum5_000265, BSPBio_002485, KBioGR_002165, KBioSS_001085, SPECTRUM200463, SPBio_000899, CHEMBL1439718, SCHEMBL14970929, KBio2_001085, KBio2_003653, KBio2_006221, KBio3_001705, CCG-40035, SDCCGMLS-0066412.P001, SID50109890, NCGC00160157-01, NCGC00160157-02, SR-05000002536, SR-05000002536-1, Q27137535 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 602.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aS)-6a,9,10-trihydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Is Pains | True |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PGERTGWKXFAEFR-MRXNPFEDSA-N |
| Fcsp3 | 0.1875 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (6aS)-6a,9,10-trihydroxy-6,7-dihydroindeno[2,1-c]chromen-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8642839714285708 |
| Inchi | InChI=1S/C16H12O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,18-20H,6-7H2/t16-/m1/s1 |
| Smiles | C1C2=CC(=C(C=C2C3=C4C=CC(=O)C=C4OC[C@@]31O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Biancaea Sappan (Plant) Rel Props:Source_db:cmaup_ingredients