Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18584
- Core Entity Id
- 23833
- Source Entity Count
- 1
- Preferred Name
- (+)-eschscholtzidine-n-oxide
- Name En
- Pubchem Id
- 11024673
- Smiles Canonical
- C[N+]1(C2CC3=CC4=C(C=C3C1CC5=CC(=C(C=C25)OC)OC)OCO4)[O-]
- Molecular Formula
- C20H21NO5
- Molecular Weight
- 355.3900
- Inchikey
- FSMUFRLDCALYEU-BLRYKZMTSA-N
- Inchi
- InChI=1S/C20H21NO5/c1-21(22)15-5-12-7-19-20(26-10-25-19)9-14(12)16(21)4-11-6-17(23-2)18(24-3)8-13(11)15/h6-9,15-16H,4-5,10H2,1-3H3/t15-,16-,21?/m1/s1
- Isomeric Smiles
- C[N+]1([C@@H]2CC3=CC4=C(C=C3[C@H]1CC5=CC(=C(C=C25)OC)OC)OCO4)[O-]
- Cas Id
- Ob Score
- Mol Logp
- 3.2715
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-Eschscholtzidine-N-oxide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-Eschscholtzidine-N-oxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-eschscholtzidine-n-oxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-eschscholtzidine-n-oxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
厚壳桂
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HOU KE GUI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Cryptocarya
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-eschscholtzidine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
厚壳桂HOU KE GUIChinese Cryptocarya(+)-eschscholtzidine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025743HBIN025742
Npass
NPC255427
Tcmid
73587359
Pub Chem
11024673
Tcmbank
TCMBANKIN047141TCMBANKIN057995
Etcm Ingredient
(+)-Eschscholtzidine-N-oxide
Itcmdb Generated
ITX-INGREDIENT-1D1FD65CA5F6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H21NO5/c1-21(22)15-5-12-7-19-20(26-10-25-19)9-14(12)16(21)4-11-6-17(23-2)18(24-3)8-13(11)15/h6-9,15-16H,4-5,10H2,1-3H3/t15-,16-,21?/m1/s1
Mol Wt
355.3900000000002
Smiles
C[N+]1(C2CC3=CC4=C(C=C3C1CC5=CC(=C(C=C25)OC)OC)OCO4)[O-]
Mol Log P
3.271500000000002
In Ch Ikey
FSMUFRLDCALYEU-BLRYKZMTSA-N
Tcm Name
厚壳桂
Tcm Name2
HOU KE GUI
Mol2 Path
/TCM_database/2007_3d_all/07360.mol2
Reference
3092
Num Hdonors
0
Tcm Name En
Chinese Cryptocarya
Drug Likeness
0.611
Num Hacceptors
5
Isomeric Smiles
C[N+]1([C@@H]2CC3=CC4=C(C=C3[C@H]1CC5=CC(=C(C=C25)OC)OC)OCO4)[O-]
Canonical Smiles
C[N+]1(C2CC3=CC4=C(C=C3C1CC5=CC(=C(C=C25)OC)OC)OCO4)[O-]
Molecular Weight
355.140
Molecular Weight
355.4 g/mol
Molecular Formula
C20H21NO5
Molecular Formula
C20H21NO5
Molecular Formula
C20H21NO5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.999
Quantitative Estimate Of Drug Likeness（Qed）
0.611