Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18932
- Core Entity Id
- 24222
- Source Entity Count
- 1
- Preferred Name
- Euphoheliosnoid a
- Name En
- Pubchem Id
- 163186270
- Smiles Canonical
- CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C=C(C(CC(=O)C(C=CC(C2OC(=O)C)C)(C)C)OC(=O)C4=CN=CC=C4)C)OC(=O)C
- Molecular Formula
- C37H43NO9
- Molecular Weight
- 645.7490
- Inchikey
- DTEIMVRBDJBZAX-JAWKVFOISA-N
- Inchi
- InChI=1S/C37H43NO9/c1-22-15-16-36(6,7)31(41)19-30(45-35(43)28-14-11-17-38-21-28)23(2)18-29-32(46-34(42)27-12-9-8-10-13-27)24(3)20-37(29,47-26(5)40)33(22)44-25(4)39/h8-18,21-22,24,29-30,32-33H,19-20H2,1-7H3/b16-15+,23-18+/t22-,24-,29+,30-,32+,33-,37-/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)/C=C(/[C@@H](CC(=O)C(/C=C/[C@H]([C@H]2OC(=O)C)C)(C)C)OC(=O)C4=CN=CC=C4)\C)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.8598
- Num H Donors
- 0
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Euphoheliosnoid A
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Euphoheliosnoid A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Euphoheliosnoid A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Euphoheliosnoid A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Euphoheliosnoid a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Euphoheliosnoid a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
泽漆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZE QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sun Euphorbia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL5174123
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5174123
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0676082
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0676082
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N11662
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N11662
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
泽漆ZE QISun EuphorbiaCHEMBL5174123CS-0676082HY-N11662
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026181
Npass
NPC23539
Tcmid
7607
Sym Map
SMIT23893
Pub Chem
163186270
Tcmbank
TCMBANKIN043889
Etcm Ingredient
Euphoheliosnoid A
Itcmdb Generated
ITX-INGREDIENT-1C67E72AEAACITX-INGREDIENT-82D565872A7A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C37H43NO9/c1-22-15-16-36(6,7)31(41)19-30(45-35(43)28-14-11-17-38-21-28)23(2)18-29-32(46-34(42)27-12-9-8-10-13-27)24(3)20-37(29,47-26(5)40)33(22)44-25(4)39/h8-18,21-22,24,29-30,32-33H,19-20H2,1-7H3/b16-15+,23-18+/t22-,24-,29+,30-,32+,33-,37-/m1/s1
Mol Wt
645.7490000000003
Mol Log P
5.859800000000007
Version
v2
In Ch Ikey
DTEIMVRBDJBZAX-JAWKVFOISA-N
Suppress
0
Tcm Name
泽漆
Tcm Name2
ZE QI
Mol2 Path
/TCM_database/2007_3d_all/07608.mol2
Reference
5076
Num Hdonors
0
Tcm Name En
Sun Euphorbia
Drug Likeness
0.214
Num Hacceptors
10
Isomeric Smiles
C[C@@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)/C=C(/[C@@H](CC(=O)C(/C=C/[C@H]([C@H]2OC(=O)C)C)(C)C)OC(=O)C4=CN=CC=C4)\C)OC(=O)C
Canonical Smiles
CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C=C(C(CC(=O)C(C=CC(C2OC(=O)C)C)(C)C)OC(=O)C4=CN=CC=C4)C)OC(=O)C
Herb Alias Names
CHEMBL5174123HY-N11662CS-0676082
Molecular Weight
645.290
Molecular Formula
C37H43NO9
Molecular Formula
C37H43NO9
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.958
Quantitative Estimate Of Drug Likeness（Qed）
0.214