Prenyletin
PubChem CID: 3873459
Connections displayed (default: 10).
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| Compound Synonyms | PRENYLETIN, 15870-91-4, 6-hydroxy-7-(3-methylbut-2-enoxy)chromen-2-one, 6-Hydroxy-7-(isopentenyloxy)-2H-1-benzopyran-2-one, KBio2_003658, Spectrum_000610, SpecPlus_000123, Spectrum2_000250, Spectrum3_000034, Spectrum4_001315, Spectrum5_000129, BSPBio_001727, KBioGR_001749, KBioSS_001090, SPECTRUM100101, DivK1c_006219, SPBio_000040, CHEMBL607536, SCHEMBL12062090, KBio1_001163, KBio2_001090, KBio2_006226, KBio3_000867, DTXSID101347414, CCG-39811, HY-N11767, SDCCGMLS-0066355.P001, NCGC00095380-01, NCGC00095380-02, DA-49933, TS-10251, CS-0834513, SR-05000002493, SR-05000002493-1, BRD-K81750404-001-02-5, BRD-K81750404-001-03-3, 6-Hydroxy-7-[(3-methyl-2-buten-1-yl)oxy]-2H-chromen-2-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | B2RXH2, P55210, P00352, P28482, P15428, P29466, P08684, Q9UBT6, Q9NUW8, Q9Y6L6, Q9NPD5, P27695 |
| Iupac Name | 6-hydroxy-7-(3-methylbut-2-enoxy)chromen-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT48, NPT1226, NPT94, NPT282, NPT151, NPT277, NPT109 |
| Xlogp | 3.0 |
| Molecular Formula | C14H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AWEFUQDNSBBNCR-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.151 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.862 |
| Compound Name | Prenyletin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 246.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.417835511111111 |
| Inchi | InChI=1S/C14H14O4/c1-9(2)5-6-17-13-8-12-10(7-11(13)15)3-4-14(16)18-12/h3-5,7-8,15H,6H2,1-2H3 |
| Smiles | CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Angiopteris Caudatiformis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Angiopteris Evecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Bursera Microphylla (Plant) Rel Props:Reference: - 5. Outgoing r'ship
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FOUND_INto/from Byrsonima Coccolobifolia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Byrsonima Microphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cassipourea Guianensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Couroupita Guianensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Crotalaria Aegyptiaca (Plant) Rel Props:Reference: - 11. Outgoing r'ship
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