Plastochromanol 8
PubChem CID: 6438333
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| Compound Synonyms | plastochromanol 8, 4382-43-8, Plastochromanol-8, (R)-2,7,8-Trimethyl-2-((3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaen-1-yl)chroman-6-ol, (2R)-2,7,8-trimethyl-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaenyl]-3,4-dihydrochromen-6-ol, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl)-, [r-(all-E)]-, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl)-, (R-(all-E))-, PTMZTTPJFDLIOR-HCCCIJMNSA-N, DTXSID401019983, LMPR02020068, 6-Chromanol, 2,7,8-trimethyl-2-(4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl)-, NS00124503, Q15632864, 2,7,8-Trimethyl-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl]-6-chromanol #, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl)- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Prenyl quinone meroterpenoids |
| Deep Smiles | C/C=CCC/C=C/CC/C=C/CC/C=C/CC[C@]C)CCccO6)cC)ccc6)O))C)))))))))))/C)))))/C)))))/C)))))/CC/C=C/CC/C=C/CC/C=C/CCC=CC)C)))))C)))))C)))))C |
| Heavy Atom Count | 55.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2OCCCC2C1 |
| Classyfire Subclass | Quinone and hydroquinone lipids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1370.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2,7,8-trimethyl-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaenyl]-3,4-dihydrochromen-6-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 18.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C53H82O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCCO2 |
| Inchi Key | PTMZTTPJFDLIOR-HCCCIJMNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 24.0 |
| Synonyms | plastochromanol 8 |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, cO, cOC |
| Compound Name | Plastochromanol 8 |
| Exact Mass | 750.631 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 750.631 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 751.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 7.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-37-53(12)38-36-50-39-51(54)48(10)49(11)52(50)55-53/h21,23,25,27,29,31,33,35,39,54H,13-20,22,24,26,28,30,32,34,36-38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+/t53-/m1/s1 |
| Smiles | CC1=C(C=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 7.0 |
| Egan Rule | False |
| Np Classifier Superclass | Meroterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729