2-(3,5-dihydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)-4-methoxy-9,10-dihydrophenanthrene-1,7-diol
CNP0266681.0 · C30H26O6 · View on COCONUT ↗
Identifiers
| IUPAC Name | 2-(3,5-dihydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)-4-methoxy-9,10-dihydrophenanthrene-1,7-diol |
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| COCONUT ID | CNP0266681.0 |
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| InChIKey | ZTEUZOLDIGBRHR-UHFFFAOYSA-N |
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| InChI | InChI=1S/C30H26O6/c1-35-19-10-17-4-3-16-11-23(25(32)13-22(16)28(17)26(33)12-19)24-14-27(36-2)29-20-8-6-18(31)9-15(20)5-7-21(29)30(24)34/h6,8-14,31-34H,3-5,7H2,1-2H3 |
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| SMILES | COC1=CC(O)=C2C(=C1)CCC1=CC(C3=CC(OC)=C4C5=CC=C(O)C=C5CCC4=C3O)=C(O)C=C12 |
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Properties
| Molecular Formula | C30H26O6 |
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| Molecular Weight | 482.53 |
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| Exact Mass | 482.17294 |
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| Log P (ALogP) | 5.72 |
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| TPSA | 99.38 |
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| H-Bond Donors / Acceptors | 4 / 6 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.30 |
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| NP-likeness | 1.43 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Phenanthrenoids |
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| NP Class | Phenanthrenes |
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| Chemical Superclass | Benzenoids |
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| Chemical Class | Phenanthrenes and derivatives |
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| Chemical Subclass | Phenanthrenes and derivatives |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
