IngredientID 17974

Eleutheroside k

C41H66O11

Relationship Network

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Herb: 7Ingredient: 1Links: 7

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 17974
Core Entity Id: 23155
Source Entity Count: 1
Preferred Name: Eleutheroside k
Name En
Pubchem Id: 441929
Smiles Canonical
Molecular Formula: C41H66O11
Molecular Weight: 734.9600
Inchikey: IBAJNOZMACNWJD-HVUPOBLPSA-N
Inchi: InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1
Isomeric Smiles
Cas Id: 35790-95-5
Ob Score
Mol Logp: 4.9000
Num H Donors: 6
Num H Acceptors: 11
Num Rotatable Bonds: 5
Drug Likeness
Polar Surface Area: 175.0000
Molecular Volume
Alogp

Names

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

Name

Eleutheroside K

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Eleutheroside K

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Eleutheroside K

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Eleutheroside K

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Eleutheroside k

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Eleutheroside k

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

刺五加

Role

TCM_name

Source

TCMBank

Preferred

Name

CI WU JIA

Role

TCM_name2

Source

TCMBank

Preferred

Name

Manyprickle Acanthopanax

Role

TCM_name_en

Source

TCMBank

Preferred

Name

刺五加叶

Role

TCM_name

Source

TCMBank

Preferred

Name

CI WU JIA YE; YANG CHANG GHUN TCNG

Role

TCM_name2

Source

TCMBank

Preferred

Name

Manyprickle Acanthopanax Leaf

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Beta-hederin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

beta-hederin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

.beta.-Hederin

Role

alias

Source

itcmdb_public

Preferred

Name

35790-95-5

Role

alias

Source

itcmdb_public

Preferred

Name

C08955

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:10419

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL502407

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID90331673

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

刺五加CI WU JIAManyprickle Acanthopanax刺五加叶CI WU JIA YE; YANG CHANG GHUN TCNGManyprickle Acanthopanax LeafBeta-hederin(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.beta.-Hederin35790-95-5C08955CHEBI:10419CHEMBL502407DTXSID90331673

Cross References

Trusted external identifiers retained for this final record.

Cas

35790-95-5

Herb

HBIN024990HBIN018140

Npass

NPC56713

Tcmid

675531067

Sym Map

SMIT23728

Tcm Id

4647

Pub Chem

441929

Tcmbank

TCMBANKIN040239TCMBANKIN056053TCMBANKIN003578

Etcm Ingredient

Eleutheroside K

Itcmdb Generated

ITX-INGREDIENT-574C98346262ITX-INGREDIENT-77E93FDBD127ITX-INGREDIENT-6615B7A6229C

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

Cas Id

35790-95-5

Smiles

C1(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@](C(=O)O[H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C3=C([H])C([H])([H])[C@@]4([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H]) (C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[C@@]5([H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O6)[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])O5)C ([H])([H])C7([H])[H])[C@@]47C([H])([H])[H])[C@@]3([H])C1([H])[H]

Version

Suppress

Tcm Name

刺五加

Tcm Name2

CI WU JIA

Mol2 Path

/TCM_database/2007_3d_all/06756.mol2

Reference

6, 658, 660, 2240, 4812, 4904

Tcm Name En

Manyprickle Acanthopanax

Molecular Weight

734.460

Molecular Weight

734.96

Molecular Formula

C41H66O11

Molecular Formula

C41H66O11

Molecular Formula

C41H66O11

Fda Maximum Daily Dose (Fdamdd)

0.269

Quantitative Estimate Of Drug Likeness（Qed）

0.173