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Ingredients

Isorhamnetin,3-o-rutinoside

C28H32O16

Entity Type
Ingredients
Relation Groups
2
Relation Preview
9

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Isorhamnetin,3-o-rutinoside
Molecular Formula
C28H32O16
Molecular Weight
No data
Canonical SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
Isomeric SMILES
CC1[C@@H]([C@H](C([C@@H](O1)OCC2[C@H]([C@H](C([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
InChI
InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19+,21+,22+,23?,24?,27+,28-/m0/s1
Oral Bioavailability
3.852
Drug Likeness
0.147
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
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient3 Herbs
02
荆芥
Jing Jie / Herba Schizonepetae; Schizonepetae Herba
Jing JieHerba Schizonepetae; Schizonepetae Herba
03
Li / Herba Henopodii Albi; Herba Chenopodii Glauci
LiHerba Henopodii Albi; Herba Chenopodii Glauci