Dorsmanin C
PubChem CID: 5472481
Connections displayed (default: 10).
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| Compound Synonyms | dorsmanin C, 2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-8,8-dimethylpyrano[2,3-h]chromen-4-one, 1025775-95-4, 2-(3,4-Dihydroxyphenyl)-6-((2E)-3,7-Dimethylocta-2,6-Dienyl)-3,5-Dihydroxy-8,8-Dimethylpyrano(2,3-H)Chromen-4-One, end capped with dimethylpheny, CHEMBL1994725, CHEBI:179725, LMPK12112299, NSC719329, NSC-719329, Poly[(9,9-dioctylfluorenyl-2,7-diyl)-co-(1,4-phenylene)], 211307-52-7 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 986.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.2 |
| Molecular Formula | C30H32O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HHAZEOQNUWGOLG-RQZCQDPDSA-N |
| Fcsp3 | 0.3 |
| Logs | -1.921 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.887 |
| Compound Name | Dorsmanin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 504.215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 504.215 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 504.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.081889800000003 |
| Inchi | InChI=1S/C30H32O7/c1-16(2)7-6-8-17(3)9-11-19-24(33)23-25(34)26(35)27(18-10-12-21(31)22(32)15-18)36-29(23)20-13-14-30(4,5)37-28(19)20/h7,9-10,12-15,31-33,35H,6,8,11H2,1-5H3/b17-9+ |
| Smiles | CC(=CCC/C(=C/CC1=C2C(=C3C(=C1O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)C=CC(O2)(C)C)/C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Mannii (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Dorstenia Barnimiana (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Dorstenia Barteri (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Dorstenia Dinklagei (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Dorstenia Indica (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dorstenia Lindeniana (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dorstenia Mannii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dracaena Mannii (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Hardwickia Mannii (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Pyrrosia Mannii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Turraeanthus Mannii (Plant) Rel Props:Reference: