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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Leonticine

C65H106O31

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
12

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Leonticine
Molecular Formula
C65H106O31
Molecular Weight
No data
Canonical SMILES
CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)O)CO)O)O)O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O
InChI
InChI=1S/C65H106O31/c1-25-36(70)40(74)45(79)54(87-25)94-51-31(22-68)90-53(49(83)44(51)78)86-24-32-39(73)43(77)48(82)57(91-32)96-59(84)65-17-15-60(2,3)19-27(65)26-9-10-34-62(6)13-12-35(61(4,5)33(62)11-14-64(34,8)63(26,7)16-18-65)92-58-52(95-56-47(81)42(76)38(72)30(21-67)89-56)50(28(69)23-85-58)93-55-46(80)41(75)37(71)29(20-66)88-55/h9,25,27-58,66-83H,10-24H2,1-8H3/t25-,27-,28-,29+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51+,52+,53+,54-,55-,56-,57-,58-,62-,63+,64+,65-/m0/s1
Oral Bioavailability
45.790
Drug Likeness
0.039
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

Related Entities

Direct relations and traceable candidates grouped by relation type.

Source HerbsActive Targets

Active Targets

ingredient target8 Targets
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