Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18852
- Core Entity Id
- 24133
- Source Entity Count
- 1
- Preferred Name
- Euoverrine b
- Name En
- Pubchem Id
- 101217037
- Smiles Canonical
- CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C)OC(=O)C6=CC=CC=C6)COC(=O)C)OC(=O)C)OC(=O)C)C
- Molecular Formula
- C43H49NO18
- Molecular Weight
- 867.8540
- Inchikey
- WQXGLECMNMWOGT-FLJUZYEESA-N
- Inchi
- InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(59-26(6)49)42(20-54-22(2)45)36(61-38(51)27-13-10-9-11-14-27)32(57-24(4)47)34(60-37(21)50)41(8,53)43(42,62-40)33(30)58-25(5)48/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30?,31-,32+,33-,34+,35-,36-,40-,41+,42+,43+/m1/s1
- Isomeric Smiles
- C[C@@H]1CCC2=C(C=CC=N2)C(=O)OC[C@@]3(C4[C@H]([C@H]([C@]5([C@@H]([C@H]([C@@H]([C@]([C@]5([C@@H]4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C)OC(=O)C6=CC=CC=C6)COC(=O)C)OC(=O)C)OC(=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.1565
- Num H Donors
- 1
- Num H Acceptors
- 19
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Euoverrine B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Euoverrine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Euoverrine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Euoverrine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
栓翅卫矛
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHUAN CHI WEI MAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Corkywing Euonymus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
栓翅卫矛SHUAN CHI WEI MAOCorkywing Euonymus
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026099
Npass
NPC176643
Tcmid
7537
Pub Chem
101217037
Tcmbank
TCMBANKIN043550
Etcm Ingredient
Euoverrine B
Itcmdb Generated
ITX-INGREDIENT-00734D707EAF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(59-26(6)49)42(20-54-22(2)45)36(61-38(51)27-13-10-9-11-14-27)32(57-24(4)47)34(60-37(21)50)41(8,53)43(42,62-40)33(30)58-25(5)48/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30?,31-,32+,33-,34+,35-,36-,40-,41+,42+,43+/m1/s1
Mol Wt
867.854
Mol Log P
2.156500000000002
In Ch Ikey
WQXGLECMNMWOGT-FLJUZYEESA-N
Tcm Name
栓翅卫矛
Tcm Name2
SHUAN CHI WEI MAO
Mol2 Path
/TCM_database/2007_3d_all/07538.mol2
Reference
1928
Num Hdonors
1
Tcm Name En
Corkywing Euonymus
Drug Likeness
0.295
Num Hacceptors
19
Isomeric Smiles
C[C@@H]1CCC2=C(C=CC=N2)C(=O)OC[C@@]3(C4[C@H]([C@H]([C@]5([C@@H]([C@H]([C@@H]([C@]([C@]5([C@@H]4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C)OC(=O)C6=CC=CC=C6)COC(=O)C)OC(=O)C)OC(=O)C)C
Canonical Smiles
CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C)OC(=O)C6=CC=CC=C6)COC(=O)C)OC(=O)C)OC(=O)C)C
Molecular Weight
853.280
Molecular Weight
867.8 g/mol
Molecular Formula
C42H47NO18
Molecular Formula
C43H49NO18
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.293