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
- 18851
- Core Entity Id
- 24132
- Source Entity Count
- 1
- Preferred Name
- Euoverrine a
- Name En
- Pubchem Id
- 44566779
- Smiles Canonical
- CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C7=CC=CC=C7)OC(=O)C)C
- Molecular Formula
- C48H51NO18
- Molecular Weight
- 929.9250
- Inchikey
- PYDAEIINPZJDBO-YPFDASCFSA-N
- Inchi
- InChI=1S/C48H51NO18/c1-24-25(2)41(54)65-38-36(62-28(5)52)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(63-29(6)53)35(61-27(4)51)33-37(64-42(55)30-16-11-9-12-17-30)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3/t24-,25-,33+,35+,36-,37+,38-,39+,40-,45-,46-,47+,48-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H](C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C7=CC=CC=C7)OC(=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.6213
- Num H Donors
- 1
- Num H Acceptors
- 19
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Euoverrine A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Euoverrine A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Euoverrine a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Euoverrine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
扶芳藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
FU FANG TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Forture Euonymus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CS-0893055
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0893055
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N12192
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N12192
Role
alias
Source
HERB_v2
Preferred
No
Name
ebenifoline E-II
Role
alias
Source
HERB_v2
Preferred
No
Name
ebenifoline E-II
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
扶芳藤FU FANG TENGForture EuonymusCS-0893055HY-N12192ebenifoline E-II
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026098
Tcmid
7536
Pub Chem
44566779
Tcmbank
TCMBANKIN038362
Etcm Ingredient
Euoverrine A
Itcmdb Generated
ITX-INGREDIENT-60F30BAE6D64
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C48H51NO18/c1-24-25(2)41(54)65-38-36(62-28(5)52)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(63-29(6)53)35(61-27(4)51)33-37(64-42(55)30-16-11-9-12-17-30)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3/t24-,25-,33+,35+,36-,37+,38-,39+,40-,45-,46-,47+,48-/m0/s1
Mol Wt
929.9250000000002
Mol Log P
3.621300000000002
In Ch Ikey
PYDAEIINPZJDBO-YPFDASCFSA-N
Tcm Name
扶芳藤
Tcm Name2
FU FANG TENG
Mol2 Path
/TCM_database/2007_3d_all/07537.mol2
Reference
1928
Num Hdonors
1
Tcm Name En
Forture Euonymus
Drug Likeness
0.238
Num Hacceptors
19
Isomeric Smiles
C[C@H]1[C@@H](C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C7=CC=CC=C7)OC(=O)C)C
Canonical Smiles
CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C7=CC=CC=C7)OC(=O)C)C
Herb Alias Names
ebenifoline E-IIHY-N12192CS-0893055
Molecular Weight
929.310
Molecular Weight
929.9 g/mol
Molecular Formula
C48H51NO18
Molecular Formula
C48H51NO18
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.238