Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 8Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 49449
- Core Entity Id
- 92460
- Source Entity Count
- 1
- Preferred Name
- 20-Hydroxyecdysone
- Name En
- Pubchem Id
- 5459840
- Smiles Canonical
- CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
- Molecular Formula
- C27H44O7
- Molecular Weight
- 481.0000
- Inchikey
- NKDFYOWSKOHCCO-YPVLXUMRSA-N
- Inchi
- InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 6
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 138.0000
- Molecular Volume
- 344.0000
- Alogp
- 1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
20-hydroxy ecdysone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
20-hydroxy ecdysone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
尹志草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
牛膝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YING ZI CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Achyranthes bidentata
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Catch-fly
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
8.活血化瘀药(33-33)
Role
level1_name
Source
TCMBank
Preferred
No
Name
blood-activating and stasis-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.活血调经药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-activating menstruationregulating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
20-hydroxy ecdysone尹志草牛膝YING ZI CAOAchyranthes bidentataCatch-fly8.活血化瘀药(33-33)blood-activating and stasis-resolving medicinal2.活血调经药(11-11)blood-activating menstruationregulating medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN031662TCMBANKIN041227
Etcm Ingredient
20-Hydroxyecdysone20-hydroxy ecdysone
Itcmdb Generated
ITX-INGREDIENT-503E4E4E31F6ITX-INGREDIENT-CC5BF2801683ITX-INGREDIENT-E81D5EE34922ITX-INGREDIENT-F1C4F53B841B
Attributes
Merged source attributes and domain-specific metadata.
Alog P
1
Smiles
[C@@]1([H])(C([H])([H])[C@@]2([C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@](O[H])(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])
([H])[H])O[H])O[H])C([H])([H])C3([H])[H])[C@@]34O[H])C4=C([H])C2=O)C([H])([H])[C@]1([H])O[H])[H])O[H]
37 Flag
37
C Count
27
N Count
0
O Count
7
P Count
0
S Count
0
Tcm Name
尹志草牛膝
Tcm Name2
YING ZI CAO
Mol2 Path
/TCM_database/2007_3d_all/10061.mol2/TCM_database/8.活血化瘀药(33-33)/2.活血调经药(11-11)/牛膝/structure/20-hydroxy ecdysone.mol2
Reference
2448, 4658
Tcm Name En
Achyranthes bidentataCatch-fly
Level1 Name
8.活血化瘀药(33-33)
Level2 Name
2.活血调经药(11-11)
Num H Donors
6
Level1 Name En
blood-activating and stasis-resolving medicinal
Level2 Name En
blood-activating menstruationregulating medicinal
Num H Acceptors
7
Molecular Weight
480.310
Molecular Volume
344
Molecular Weight
481
Molecular Formula
C27H44O7
Molecular Formula
C27H44O7
Num Rotatable Bonds
5
Molecular Polar Surface Area
138
Fda Maximum Daily Dose (Fdamdd)
0.950
Quantitative Estimate Of Drug Likeness（Qed）
0.331