Tannic acid
IUPAC NAme: -
CAS Number: 1401-55-4
Class: -
Plants contain this compound
5 plants
| HerbID |
Thai name |
Common name |
Scientific name |
Family |
| 9 |
กระเบียน |
- |
Ceriscoides turgida (Roxb.) Tirveng. |
Rubiaceae |
| 15 |
กระทิง |
- |
Calophyllum inophyllum L. |
Guttiferae |
| 36 |
ชุมเห็ดไทย |
- |
Senna tora (L.) Roxb. |
Fabaceae |
| 43 |
ตะคร้อ |
- |
Schleichera oleosa (Lour.) Merr. |
Sapindaceae |
| 48 |
ตีนเป็ดฝรั่ง |
- |
Crescentia alata HBK |
Bignoniaceae |
2D Structure
Compound Properties
Smile
OC1=CC(=CC(O)=C1O)C(=O)OC1=C(O)C(O)=CC(=C1)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H]1OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C(O)=C1
Physicochemical Properties
| Formula |
C76H52O46 |
| Molecular wieght(g/mol) |
1701.2 |
| Num. of Heavy atoms |
122 |
| Num. of Aromatic Heavy atoms |
60 |
| Fraction Csp3 |
0.08 |
| Num. of Rotatable bonds |
31 |
| Num. of H-bond acceptors |
46 |
| Num. of H-bonds donors |
25 |
| Molar Refractivity |
391.51 |
| TPSA (square Angstrom) |
777.98 |
Lipophilicity
| iLOGP |
4.29 |
| XLOGP3 |
6.20 |
| WLOGP |
4.84 |
| MLOGP |
-4.24 |
| Silicos-IT LOGP |
-0.79 |
| Consensus LOGP |
2.06 |
Water Solubility
| ESOL |
|
| LogS |
-12.61 |
Solubility(mg/ml) |
4.16E-10 |
Solubility(mol/l) |
2.45E-13 |
Class |
Insoluble |
| Ali |
|
| LogS |
-22.32 |
Solubility(mg/ml) |
8.10E-20 |
Solubility(mol/l) |
4.76E-23 |
Class |
Insoluble |
| Silicos-IT |
|
| LogS |
-5.59 |
Solubility(mg/ml) |
4.39E-03 |
Solubility(mol/l) |
2.58E-06 |
Class |
Moderately soluble |
Pharmacokinetics
| GI absorbtion |
Low |
| BBB permeant |
No |
| Pgp substrate |
Yes |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-12.28 |
Druglikeness
| Lipinski Num. violations |
3 |
| Ghose Num. violations |
3 |
| Veber Num. violations |
2 |
| Egan Num. violations |
1 |
| Muegge Num. violations |
7 |
| Bioavailability Score |
0.17 |
Medicinal Chemistry
| PAINS Num. of alerts |
1 |
| Brenk Num. of alerts |
3 |
| Leadlikeness Num. of violations |
3 |
| Synthetic Accessibility |
10.00 |
