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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Monotropein

C16H22O11

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
10

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Monotropein
Molecular Formula
C16H22O11
Molecular Weight
No data
Canonical SMILES
C1=CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)(CO)O
Isomeric SMILES
C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)(CO)O
InChI
InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1
Oral Bioavailability
2.527
Drug Likeness
0.233
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
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