Abyssinone V 4'-methyl ether
PubChem CID: 6548074
Connections displayed (default: 10).
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| Compound Synonyms | Abyssinone V 4'-methyl ether, 4-Methylabyssinone V, 201480-12-8, 4'-O-Methylabyssinone V, CHEMBL470249, (2S)-5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one, 5,7-Dihydroxy-4'-methoxy-3',5'-diprenylflavanone, Isosakuranetin, derivative of, abyssinone-V-4''-O-methyl ether, cid_15382621, DTXSID701346971, BDBM50241796, LMPK12140349, AKOS040735404, AM-573/21176001, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-, (2S)- |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 645.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a., P18031 |
| Iupac Name | (2S)-5,7-dihydroxy-2-[4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Target Id | NPT178 |
| Xlogp | 6.6 |
| Molecular Formula | C26H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JHEBMTRMMJXPTM-QHCPKHFHSA-N |
| Fcsp3 | 0.3461538461538461 |
| Logs | -4.052 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.352 |
| Compound Name | Abyssinone V 4'-methyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 422.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.571081812903227 |
| Inchi | InChI=1S/C26H30O5/c1-15(2)6-8-17-10-19(11-18(26(17)30-5)9-7-16(3)4)23-14-22(29)25-21(28)12-20(27)13-24(25)31-23/h6-7,10-13,23,27-28H,8-9,14H2,1-5H3/t23-/m0/s1 |
| Smiles | CC(=CCC1=CC(=CC(=C1OC)CC=C(C)C)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Procera (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aloe Abyssinica (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Anthocleista Procera (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Balanophora Fungosa (Plant) Rel Props:Reference: - 5. Outgoing r'ship
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FOUND_INto/from Balanophora Involucrata (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Balanophora Japonica (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Balanophora Laxiflora (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Balanophora Occidentals (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Balanophora Polyandra (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Bersama Abyssinica (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Calotropis Gigantea (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Calotropis Procera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Cephalaria Procera (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Commiphora Abyssinica (Plant) Rel Props:Reference: - 17. Outgoing r'ship
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FOUND_INto/from Diospyros Abyssinica (Plant) Rel Props:Reference: - 19. Outgoing r'ship
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FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
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FOUND_INto/from Erythrina Vogelii (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Guizotia Abyssinica (Plant) Rel Props:Reference: - 51. Outgoing r'ship
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FOUND_INto/from Osyris Abyssinica (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Pedicularis Procera (Plant) Rel Props:Reference: - 56. Outgoing r'ship
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