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
- 38924
- Core Entity Id
- 68923
- Source Entity Count
- 1
- Preferred Name
- 16-ethoxystrychnine
- Name En
- Pubchem Id
- 200053
- Smiles Canonical
- CCOC12CC3C4C5CC(=O)N6C4C1(CCN2CC3=CCO5)C7=CC=CC=C76
- Molecular Formula
- C23H26N2O3
- Molecular Weight
- 378.4720
- Inchikey
- BWCUFELTNOPYLM-KWNWVHFBSA-N
- Inchi
- InChI=1S/C23H26N2O3/c1-2-28-23-12-15-14-7-10-27-18-11-19(26)25-17-6-4-3-5-16(17)22(23,21(25)20(15)18)8-9-24(23)13-14/h3-7,15,18,20-21H,2,8-13H2,1H3/t15-,18-,20-,21-,22?,23+/m0/s1
- Isomeric Smiles
- CCO[C@]12C[C@@H]3[C@H]4[C@@H]5CC(=O)N6[C@@H]4C1(CCN2CC3=CCO5)C7=CC=CC=C76
- Cas Id
- Ob Score
- Mol Logp
- 2.4567
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
16-Ethoxystrychnine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
16-ethoxystrychnine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
16-ethoxystrychnine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
16-ethoxystrychnine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(4aR,5aR,13aS,15aS,15bR)-5a-ethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(4aR,5aR,13aS,15aS,15bR)-5a-ethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
16-ethoxystrychnidin-10-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
16-ethoxystrychnidin-10-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5574-30-1
Role
alias
Source
HERB_v2
Preferred
No
Name
5574-30-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:228953
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:228953
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10971116
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10971116
Role
alias
Source
itcmdb_public
Preferred
No
Name
Strychnine, 16-ethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Strychnine, 16-ethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4aR,5aR,13aS,15aS,15bR)-5a-ethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one16-ethoxystrychnidin-10-one5574-30-1CHEBI:228953DTXSID10971116Strychnine, 16-ethoxy-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001898
Tcmid
7416
Pub Chem
200053
Tcmbank
TCMBANKIN013556
Etcm Ingredient
16-Ethoxystrychnine
Itcmdb Generated
ITX-INGREDIENT-A39A70D31A2B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H26N2O3/c1-2-28-23-12-15-14-7-10-27-18-11-19(26)25-17-6-4-3-5-16(17)22(23,21(25)20(15)18)8-9-24(23)13-14/h3-7,15,18,20-21H,2,8-13H2,1H3/t15-,18-,20-,21-,22?,23+/m0/s1
Mol Wt
378.4720000000001
Smiles
CCOC12CC3C4C5CC(=O)N6C4C1(CCN2CC3=CCO5)C7=CC=CC=C76
Mol Log P
2.456700000000001
In Ch Ikey
BWCUFELTNOPYLM-KWNWVHFBSA-N
Num Hdonors
0
Drug Likeness
0.742
Num Hacceptors
4
Isomeric Smiles
CCO[C@]12C[C@@H]3[C@H]4[C@@H]5CC(=O)N6[C@@H]4C1(CCN2CC3=CCO5)C7=CC=CC=C76
Canonical Smiles
CCOC12CC3C4C5CC(=O)N6C4C1(CCN2CC3=CCO5)C7=CC=CC=C76
Herb Alias Names
5574-30-1Strychnine, 16-ethoxy-16-ethoxystrychnidin-10-oneDTXSID10971116CHEBI:228953(4aR,5aR,13aS,15aS,15bR)-5a-ethoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Molecular Weight
378.190
Molecular Weight
378.5 g/mol
Molecular Formula
C23H26N2O3
Molecular Formula
C23H26N2O3
Molecular Formula
C23H26N2O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.938
Quantitative Estimate Of Drug Likeness（Qed）
0.742