Starch
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Basic Info
| FADB-China ID | C0394 |
| Substance Name | Starch |
| Substance Chinese Name | 淀粉 |
| Molecular Name | Starch |
| Molecular Chinese Name | 淀粉 |
| 2D Structure | |
| CAS Number | None |
| PubChem CID | 24847848 |
| Formula | C44H79O35P |
| IUPAC Name | [4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] [5-[5-[3-[3-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-hydroxypropoxy]-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl] hydrogen phosphate |
| InChI Key | DVROLKBAWTYHHD-UHFFFAOYSA-N |
| InChI | InChI=1S/C44H79O35P/c1-14-32(78-80(61,62)79-38-19(12-49)71-41(66-5)27(56)25(38)54)30(59)36(17(10-47)69-14)76-43-29(58)24(53)37(20(74-43)13-68-42-28(57)22(51)33(63-2)15(8-45)72-42)77-44-39(31(60)34(64-3)16(9-46)73-44)67-7-6-21(50)75-35-18(11-48)70-40(65-4)26(55)23(35)52/h14-60H,6-13H2,1-5H3,(H,61,62) |
| Canonical SMILES | CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCC(O)OC5C(OC(C(C5O)O)OC)CO)O)O)O)OP(=O)(O)OC6C(OC(C(C6O)O)OC)CO |
| Isomeric SMILES | CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCC(O)OC5C(OC(C(C5O)O)OC)CO)O)O)O)OP(=O)(O)OC6C(OC(C(C6O)O)OC)CO |
| CFM-ID 3.0 | URL Link |
| Related links | Processing |
| Addition Purposes | Increase weight or volume |
| Molecular Synonyms |
Hydroxypropyl starch phosphate
Distarch phosphate, hydroxypropylated
HYDROXYPROPYL DISTARCH PHOSPHATE
2-Hydroxypropyl starch hydrogen phosphate
LS-179743
Starch, hydrogen phosphate, 2-hydroxypropylether
Starch, hydrogen phosphate, 2-hydroxypropyl ether
|
| Data Uploader | MinQing Cai |
| Update Date | Jul 25, 2019 20:46 |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 1199 |
| Hydrogen Bond Donor Count | 17 |
| Hydrogen Bond Acceptor Count | 35 |
| Rotatable Bond Count | 26 |
| Complexity | 1870 |
| Monoisotopic Mass | 1198.41395123 |
| Exact Mass | 1198.41395123 |
| XLogP | -12.2 |
| Formal Charge | 0 |
| Heavy Atom Count | 80 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 31 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.6569 |
| Human Intestinal Absorption | HIA- | 0.9840 |
| Caco-2 Permeability | Caco2- | 0.6621 |
| P-glycoprotein Substrate | Substrate | 0.5213 |
| P-glycoprotein Inhibitor | Inhibitor | 0.5572 |
| Non-inhibitor | 0.9114 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.8782 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.7466 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8266 |
| CYP450 2D6 Substrate | Non-substrate | 0.8225 |
| CYP450 3A4 Substrate | Substrate | 0.5949 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8599 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8412 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9115 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8240 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9147 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9652 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.7795 |
| Non-inhibitor | 0.6197 | |
| AMES Toxicity | Non AMES toxic | 0.8035 |
| Carcinogens | Non-carcinogens | 0.9074 |
| Fish Toxicity | Low FHMT | 0.9230 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9562 |
| Honey Bee Toxicity | High HBT | 0.7312 |
| Biodegradation | Not ready biodegradable | 0.9574 |
| Acute Oral Toxicity | III | 0.4951 |
| Carcinogenicity (Three-class) | Non-required | 0.5927 |
ADMET -- Regression
| Model | Value | Unit |
|---|---|---|
| Aqueous solubility | -2.5408 | LogS |
| Caco-2 Permeability | -0.5095 | LogPapp, cm/s |
| Rat Acute Toxicity | 2.5191 | LD50, mol/kg |
| Fish Toxicity | 2.1033 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.2191 | pIGC50, ug/L |
Related Foods
| FADB-China ID | F0112 |
| Food Image |  |
| Food Name | Milk powder |
| Food Chinese Name | 奶粉 |
| Food Type | Processed food |
| References | 近红外光谱技术在食品掺伪检测应用中的研究进展 |
References
| Title | DOI/PubMed/ISSN |
|---|---|
| Detection of Cassava Component in Sweet Potato Noodles by Real-Time Loop-mediated Isothermal Amplification (Real-time LAMP) Method. | 31146324 |
| Integrated recognition and quantitative detection of starch in surimi by infrared spectroscopy and spectroscopic imaging. | 30818215 |
| Detection of honey adulteration with starch syrup by high performance liquid chromatography. | 25442605 |
| Authentication of lotus root powder adulterated with potato starch and/or sweet potato starch using Fourier transform mid-infrared spectroscopy. | 23871065 |
| Rapid analysis of adulterations in Chinese lotus root powder (LRP) by near-infrared (NIR) spectroscopy coupled with chemometric class modeling techniques. | 23870978 |
| 近红外光谱技术在食品掺伪检测应用中的研究进展 |