Stigmasterol
IUPAC NAme: -
CAS Number: 83-48-7
Class: -
Plants contain this compound
11 plants
| HerbID | Thai name | Common name | Scientific name | Family |
|---|---|---|---|---|
| 19 | กล้วยเต่า | - | Polyalthia debilis Finet & Gagnep. | Annonaceae |
| 21 | กวาวเครือ | - | Pueraria mirifica Airy Shaw et Suvatabandhu. | Leguminosae |
| 25 | ขลู่ | - | Pluchea indica (L.) Less. | Compositae |
| 28 | ขี้เหล็ก | - | Senna siamea (Lam.) H.S.Irwin & Barneby | Caesalpiniaceae |
| 28 | ขี้เหล็ก | - | Senna siamea (Lam.) H.S.Irwin & Barneby | Fabaceae |
| 30 | คงคาเดือด | - | Arfeuillea arborescens Pierre ex Radlk. | Sapindaceae |
| 31 | ค้อนกลอง | - | Sphaeranthus africanus Linn. | Compositae |
| 39 | ตะโกนา | - | Diospyros rhodocalyx Kurz | Ebenaceae |
| 48 | ตีนเป็ดฝรั่ง | - | Crescentia alata HBK | Bignoniaceae |
| 54 | นมวัว | - | Scleropyrum pentandrum (Dennst.) Mabb. | Santalaceae |
| 61 | ผักชีล้อม | - | Oenanthe javanica (Blume) DC. | Apiaceae |
| 86 | พญาปล้องทอง | - | Clinacanthus nutans (Burm.f) Lindau. | Acanthaceae |
3D Structure
2D Structure
Compound Properties
Smile
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12CPhysicochemical Properties
| Formula | C29H48O |
| Molecular wieght(g/mol) | 412.69 |
| Num. of Heavy atoms | 30 |
| Num. of Aromatic Heavy atoms | 0 |
| Fraction Csp3 | 0.86 |
| Num. of Rotatable bonds | 5 |
| Num. of H-bond acceptors | 1 |
| Num. of H-bonds donors | 1 |
| Molar Refractivity | 132.75 |
| TPSA (square Angstrom) | 20.23 |
Lipophilicity
| iLOGP | 5.08 |
| XLOGP3 | 8.56 |
| WLOGP | 7.80 |
| MLOGP | 6.62 |
| Silicos-IT LOGP | 6.86 |
| Consensus LOGP | 6.98 |
Water Solubility
| ESOL | |||||||
|---|---|---|---|---|---|---|---|
| LogS | -7.46 | Solubility(mg/ml) | 1.43E-05 | Solubility(mol/l) | 3.46E-08 | Class | Poorly soluble |
| Ali | |||||||
| LogS | -8.86 | Solubility(mg/ml) | 5.71E-07 | Solubility(mol/l) | 1.38E-09 | Class | Poorly soluble |
| Silicos-IT | |||||||
| LogS | -5.47 | Solubility(mg/ml) | 1.40E-03 | Solubility(mol/l) | 3.39E-06 | Class | Moderately soluble |
Pharmacokinetics
| GI absorbtion | Low |
| BBB permeant | No |
| Pgp substrate | No |
| CYP1A2 inhibitor | No |
| CYP2C19 inhibitor | No |
| CYP2C9 inhibitor | Yes |
| CYP2D6 inhibitor | No |
| CYP3A4 inhibitor | No |
| Log Kp (skin permeation) (cm/s) | -2.74 |
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 | 6.21 |
Reference
| JID | Reference |
|---|