Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18567
- Core Entity Id
- 23814
- Source Entity Count
- 1
- Preferred Name
- Erythrophleguine
- Name En
- Pubchem Id
- 5281271
- Smiles Canonical
- CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCCC(C3C(C2=O)O)(C)C(=O)OC)C
- Molecular Formula
- C25H39NO6
- Molecular Weight
- 449.5880
- Inchikey
- DFDLSTQZQLKKOB-KQYSUTHUSA-N
- Inchi
- InChI=1S/C25H39NO6/c1-15-16(14-18(27)32-13-12-26(4)5)8-9-17-19(15)20(28)21(29)22-24(17,2)10-7-11-25(22,3)23(30)31-6/h14-15,17,19,21-22,29H,7-13H2,1-6H3/b16-14+/t15-,17-,19-,21-,22+,24+,25-/m0/s1
- Isomeric Smiles
- C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCN(C)C)[C@]3(CCC[C@]([C@@H]3[C@H](C2=O)O)(C)C(=O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 2.6092
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erythrophleguine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erythrophleguine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erythrophleguine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Erythrophleguine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
考明格木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KAO MING GE MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Couminga Erythrophleum*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4829-28-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
4829-28-1
Role
alias
Source
HERB_v2
Preferred
No
Name
C08682
Role
alias
Source
HERB_v2
Preferred
No
Name
C08682
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:4848
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:4848
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4077738
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4077738
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00415099
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00415099
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27106504
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27106504
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
考明格木KAO MING GE MUCouminga Erythrophleum*4829-28-1C08682CHEBI:4848CHEMBL4077738DTXSID00415099Q27106504methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025724HBIN025722
Npass
NPC202271
Tcmid
257637342
Tcm Id
451022571
Pub Chem
5281271
Tcmbank
TCMBANKIN042173TCMBANKIN060360
Etcm Ingredient
Erythrophleguine
Itcmdb Generated
ITX-INGREDIENT-655E0801FBB0ITX-INGREDIENT-BAE937528937
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H39NO6/c1-15-16(14-18(27)32-13-12-26(4)5)8-9-17-19(15)20(28)21(29)22-24(17,2)10-7-11-25(22,3)23(30)31-6/h14-15,17,19,21-22,29H,7-13H2,1-6H3/b16-14+/t15-,17-,19-,21-,22+,24+,25-/m0/s1
Mol Wt
449.5880000000002
Smiles
CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCCC(C3C(C2=O)O)(C)C(=O)OC)C
Mol Log P
2.6092
In Ch Ikey
DFDLSTQZQLKKOB-KQYSUTHUSA-N
Tcm Name
考明格木
Tcm Name2
KAO MING GE MU
Mol2 Path
/TCM_database/2007_3d_all/07343.mol2
Reference
658
Num Hdonors
1
Tcm Name En
Couminga Erythrophleum*
Drug Likeness
0.509
Num Hacceptors
7
Isomeric Smiles
C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCN(C)C)[C@]3(CCC[C@]([C@@H]3[C@H](C2=O)O)(C)C(=O)OC)C
Canonical Smiles
CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCCC(C3C(C2=O)O)(C)C(=O)OC)C
Herb Alias Names
4829-28-1methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-[2-[2-(dimethylamino)ethoxy]-2-oxoethylidene]-10-hydroxy-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylateC08682CHEBI:4848CHEMBL4077738DTXSID00415099Q27106504
Molecular Weight
449.280
Molecular Weight
449.6 g/mol
Molecular Formula
C25H39NO6
Molecular Formula
C25H39NO6
Molecular Formula
C25H39NO6
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.800
Quantitative Estimate Of Drug Likeness（Qed）
0.455