Q102165948
![[object Object]](data:image/png;base64,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)
| Name | 5,6,13-trimethoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaene |
| Wikidata | Q102165948 |
| Mol. formula | C18H18O4 |
| CAS registry number | - |
| Mol. weight | 298.3338 |
Representations
| Temporary LOTUS id | LTS0098070 |
| Name | 5,6,13-trimethoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaene |
| Canonical SMILES | COc1cc2c3c(c1)OCc1c(OC)c(OC)cc(c1-3)CC2 |
| 2D SMILES | COc1cc2c3c(c1)OCc1c(OC)c(OC)cc(c1-3)CC2 |
| IUPAC name | 5,6,13-trimethoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaene |
| InChI | InChI=1S/C18H18O4/c1-19-12-6-10-4-5-11-7-15(20-2)18(21-3)13-9-22-14(8-12)17(10)16(11)13/h6-8H,4-5,9H2,1-3H3 |
| InChIKey | WPALDSILAYYDIL-UHFFFAOYSA-N |
| Deep SMILES | could not be computed |
| Murcko Framework | O1c2cccc3c2-c4c(cccc4CC3)C1 |
Organism taxonomy
Chemical ontology
| Pathway | Superclass | Class |
| Shikimates and Phenylpropanoids | Phenanthrenoids | Phenanthrenes |
Molecular Properties
| Total atom number | 40 |
| Heavy atom number | 22 |
| Bond count | 25 |
| Number of carbons | 18 |
| Minimal number of rings | 4 |
| Maximal number of rings | 14 |
Molecular Descriptors
| NP-likeness score | 1 |
| Alogp | 3.64 |
| Alogp2 | 13.23 |
| Apol | 46.8903 |
| Bpol | 27.3417 |
| EccentricConnectivityIndexDescriptor | 386 |
| FmfDescriptor | 0.7273 |
| Fsp3 | 0.3333 |
| FragmentComplexityDescriptor | 1387.04 |
| PetitjeanNumber | 0.4545 |
| LipinskiRuleOf5Failures | 0 |
| WienerPathNumber | 925 |
| Xlogp | 3.366 |
| ZagrebIndex | 124 |
| TopoPSA | 36.92 |
Natural Products Online is an open-source open-data portal for natural products cheminformatics. Please submit bug reports, feature requests and general issues through the issues tracker at GitHub. LOTUS is a collaborative project developed and maintained here and there. The code for this web application is released under the MIT license. The code for LOTUS is released under the GNU General Public License v3.0. Copyright © CC-BY-SA 2021