Beta-Sitosterol
IUPAC NAme: -
CAS Number: 83-46-5
Class: -
Plants contain this compound
10 plants
| HerbID | Thai name | Common name | Scientific name | Family |
|---|---|---|---|---|
| 7 | กระเทียม | - | Allium sativum L. | Amaryllidaceae |
| 11 | กระแจะ | - | Hesperethusa crenulata (Roxb.) Roem. | Rutaceae |
| 19 | กล้วยเต่า | - | Polyalthia debilis Finet & Gagnep. | Annonaceae |
| 39 | ตะโกนา | - | Diospyros rhodocalyx Kurz | Ebenaceae |
| 43 | ตะคร้อ | - | Schleichera oleosa (Lour.) Merr. | Sapindaceae |
| 51 | ทองกวาว | - | Butea monosperma (Lam.) Taub. | Fabaceae |
| 61 | ผักชีล้อม | - | Oenanthe javanica (Blume) DC. | Apiaceae |
| 64 | เทียนแดง | - | Lepidium sativum L. | Brassicaceae |
| 64 | เทียนแดง | - | Lepidium sativum L. | Cruciferae |
| 75 | ส้มป่อย | - | Acacia concinna (Willd.) DC. | Leguminosae-Mimosoideae |
| 75 | ส้มป่อย | - | Acacia concinna (Willd.) DC. | Fabaceae |
| 86 | พญาปล้องทอง | - | Clinacanthus nutans (Burm.f) Lindau. | Acanthaceae |
3D Structure
2D Structure
Compound Properties
Smile
[H][C@@]12CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(O)CC[C@]12CPhysicochemical Properties
| Formula | C29H50O |
| Molecular wieght(g/mol) | 414.71 |
| Num. of Heavy atoms | 30 |
| Num. of Aromatic Heavy atoms | 0 |
| Fraction Csp3 | 0.93 |
| Num. of Rotatable bonds | 6 |
| Num. of H-bond acceptors | 1 |
| Num. of H-bonds donors | 1 |
| Molar Refractivity | 133.23 |
| TPSA (square Angstrom) | 20.23 |
Lipophilicity
| iLOGP | 5.03 |
| XLOGP3 | 9.34 |
| WLOGP | 8.02 |
| MLOGP | 6.73 |
| Silicos-IT LOGP | 7.04 |
| Consensus LOGP | 7.23 |
Water Solubility
| ESOL | |||||||
|---|---|---|---|---|---|---|---|
| LogS | -7.90 | Solubility(mg/ml) | 5.23E-06 | Solubility(mol/l) | 1.26E-08 | Class | Poorly soluble |
| Ali | |||||||
| LogS | -9.67 | Solubility(mg/ml) | 8.90E-08 | Solubility(mol/l) | 2.15E-10 | Class | Poorly soluble |
| Silicos-IT | |||||||
| LogS | -6.19 | Solubility(mg/ml) | 2.69E-04 | Solubility(mol/l) | 6.49E-07 | Class | Poorly soluble |
Pharmacokinetics
| GI absorbtion | Low |
| BBB permeant | No |
| Pgp substrate | No |
| CYP1A2 inhibitor | No |
| CYP2C19 inhibitor | No |
| CYP2C9 inhibitor | No |
| CYP2D6 inhibitor | No |
| CYP3A4 inhibitor | No |
| Log Kp (skin permeation) (cm/s) | -2.20 |
Druglikeness
| Lipinski Num. violations | 1 |
| Ghose Num. violations | 3 |
| Veber Num. violations | 0 |
| Egan Num. violations | 1 |
| Muegge Num. violations | 2 |
| Bioavailability Score | 0.55 |
Medicinal Chemistry
| PAINS Num. of alerts | 0 |
| Brenk Num. of alerts | 1 |
| Leadlikeness Num. of violations | 2 |
| Synthetic Accessibility | 6.30 |
Reference
| JID | Reference |
|---|