ITCMDBv1
IngredientID 33969

Steviosin

C38H60O18

Back to Browse

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab
Trial: 1Herb: 2Ingredient: 1Reference: 3Target: 1Links: 7
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
33969
Core Entity Id
40954
Source Entity Count
1
Preferred Name
Steviosin
Name En
Pubchem Id
134129657
Smiles Canonical
C1([H])([H])C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]2([H])[C@]3(C([H])([H])[C@](O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]4([H])O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@] ([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5)[C@@]4([H])O[H])(C(=C([H])[H])C3([H])[H])C([H])([H])C2([H])[H])C([H])([H])C6([H])[H])[C@@]6([H])[C@@]1(C(=O)O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H] )(O[H])[C@@]([H])(C([H])([H])O[H])O7)C([H])([H])[H]
Molecular Formula
C38H60O18
Molecular Weight
804.8800
Inchikey
UEDUENGHJMELGK-HYDKPPNVSA-N
Inchi
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
Isomeric Smiles
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Cas Id
Ob Score
Mol Logp
-2.9381
Num H Donors
11
Num H Acceptors
18
Num Rotatable Bonds
9
Drug Likeness
0.0630
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Stevioside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Stevioside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Stevioside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Stevioside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Steviosin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Steviosin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Steviosin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
甜叶菊;甜茶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TIAN CHA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sweet Blackberry*;Rebaud Eupatorium*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-STEVIOSIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-STEVIOSIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
0YON5MXJ9P
Role
alias
Source
HERB_v2
Preferred
No
Name
0YON5MXJ9P
Role
alias
Source
itcmdb_public
Preferred
No
Name
57817-89-7
Role
alias
Source
HERB_v2
Preferred
No
Name
57817-89-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:9271
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9271
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rebaudin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rebaudin
Role
alias
Source
HERB_v2
Preferred
No
Name
STEVIAN 50
Role
alias
Source
HERB_v2
Preferred
No
Name
STEVIAN 50
Role
alias
Source
itcmdb_public
Preferred
No
Name
STEVIBIOSIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
STEVIBIOSIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Steviosin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Steviosin
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-0YON5MXJ9P
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-0YON5MXJ9P
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Stevioside甜叶菊;甜茶TIAN CHASweet Blackberry*;Rebaud Eupatorium*(-)-STEVIOSIDE0YON5MXJ9P57817-89-7CHEBI:9271RebaudinSTEVIAN 50STEVIBIOSIDEUNII-0YON5MXJ9P

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN044836HBIN044837
Tcmid
2032533553
Tcm Id
23964760
Pub Chem
134129657442089548198
Tcmbank
TCMBANKIN006003TCMBANKIN008884TCMBANKIN051528
Etcm Ingredient
Stevioside
Itcmdb Generated
ITX-INGREDIENT-624F2DE2D46EITX-INGREDIENT-B08AFC588A9C

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
Mol Wt
804.8800000000006
Smiles
C1([H])([H])C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]2([H])[C@]3(C([H])([H])[C@](O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]4([H])O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@] ([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5)[C@@]4([H])O[H])(C(=C([H])[H])C3([H])[H])C([H])([H])C2([H])[H])C([H])([H])C6([H])[H])[C@@]6([H])[C@@]1(C(=O)O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H] )(O[H])[C@@]([H])(C([H])([H])O[H])O7)C([H])([H])[H]CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
Mol Log P
-2.938099999999989
In Ch Ikey
UEDUENGHJMELGK-HYDKPPNVSA-N
Tcm Name
甜叶菊;甜茶
Tcm Name2
TIAN CHA
Mol2 Path
/TCM_database/2003_3d_all/7919.mol2
Reference
661
Num Hdonors
11
Tcm Name En
Sweet Blackberry*;Rebaud Eupatorium*
Drug Likeness
0.063
Num Hacceptors
18
Isomeric Smiles
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Canonical Smiles
CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
Herb Alias Names
Steviosin57817-89-7STEVIBIOSIDECHEBI:9271RebaudinUNII-0YON5MXJ9P(-)-STEVIOSIDE0YON5MXJ9PSTEVIAN 50
Molecular Weight
804.380
Molecular Weight
804.9 g/mol
Molecular Formula
C38H60O18
Molecular Formula
C38H60O18
Molecular Formula
C38H60O18
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.063