Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 10Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32677
- Core Entity Id
- 39514
- Source Entity Count
- 1
- Preferred Name
- Saulatine
- Name En
- Pubchem Id
- 185141
- Smiles Canonical
- COC1=C(C2=C(C=C1)C3C(=O)C4=CC(=C(C=C4CCN3C(=O)C2)OC)OC)OC
- Molecular Formula
- C22H23NO6
- Molecular Weight
- 397.4270
- Inchikey
- SRADCDOQSQOROE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H23NO6/c1-26-16-6-5-13-15(22(16)29-4)11-19(24)23-8-7-12-9-17(27-2)18(28-3)10-14(12)21(25)20(13)23/h5-6,9-10,20H,7-8,11H2,1-4H3
- Isomeric Smiles
- COC1=C(C2=C(C=C1)C3C(=O)C4=CC(=C(C=C4CCN3C(=O)C2)OC)OC)OC
- Cas Id
- 91897-61-9
- Ob Score
- 42.7405
- Mol Logp
- 2.5858
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Saulatine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Saulatine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Saulatine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Saulatine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
saulatine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
saulatine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,4,11,12-Tetramethoxy-5,8,9,14a-tetrahydroisoquinolino[1,2-b][3]benzazepine-6,14-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4,11,12-Tetramethoxy-5,8,9,14a-tetrahydroisoquinolino[1,2-b][3]benzazepine-6,14-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
91897-61-9
Role
alias
Source
HERB_v2
Preferred
No
Name
91897-61-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00919466
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00919466
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoquino(1,2-b)(3)benzazepine-6,14-dione, 5,8,9,14a-tetrahydro-3,4,11,12-tetramethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoquino(1,2-b)(3)benzazepine-6,14-dione, 5,8,9,14a-tetrahydro-3,4,11,12-tetramethoxy-, (+-)-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,4,11,12-Tetramethoxy-5,8,9,14a-tetrahydroisoquinolino[1,2-b][3]benzazepine-6,14-dione91897-61-9DTXSID00919466Isoquino(1,2-b)(3)benzazepine-6,14-dione, 5,8,9,14a-tetrahydro-3,4,11,12-tetramethoxy-Isoquino(1,2-b)(3)benzazepine-6,14-dione, 5,8,9,14a-tetrahydro-3,4,11,12-tetramethoxy-, (+-)-
Cross References
Trusted external identifiers retained for this final record.
Cas
91897-61-9
Herb
HBIN043229
Tcmsp
MOL004228
Sym Map
SMIT06186
Pub Chem
185141
Tcmbank
TCMBANKIN020397
Etcm Ingredient
saulatine
Itcmdb Generated
ITX-INGREDIENT-31FC0E8B1A93
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H23NO6/c1-26-16-6-5-13-15(22(16)29-4)11-19(24)23-8-7-12-9-17(27-2)18(28-3)10-14(12)21(25)20(13)23/h5-6,9-10,20H,7-8,11H2,1-4H3
Mol Wt
397.4270000000001
Cas Id
91897-61-9
Smiles
COC1=C(C2=C(C=C1)C3C(=O)C4=CC(=C(C=C4CCN3C(=O)C2)OC)OC)OC
Mol Log P
2.585800000000001
Version
v1,v2
In Ch Ikey
SRADCDOQSQOROE-UHFFFAOYSA-N
Ob Score
42.7405395242.7405442.741
Suppress
0
Num Hdonors
0
Drug Likeness
0.79
Num Hacceptors
6
Isomeric Smiles
COC1=C(C2=C(C=C1)C3C(=O)C4=CC(=C(C=C4CCN3C(=O)C2)OC)OC)OC
Molecule Weight
396.47
Canonical Smiles
COC1=C(C2=C(C=C1)C3C(=O)C4=CC(=C(C=C4CCN3C(=O)C2)OC)OC)OC
Herb Alias Names
91897-61-9DTXSID00919466Isoquino(1,2-b)(3)benzazepine-6,14-dione, 5,8,9,14a-tetrahydro-3,4,11,12-tetramethoxy-3,4,11,12-Tetramethoxy-5,8,9,14a-tetrahydroisoquinolino[1,2-b][3]benzazepine-6,14-dioneIsoquino(1,2-b)(3)benzazepine-6,14-dione, 5,8,9,14a-tetrahydro-3,4,11,12-tetramethoxy-, (+-)-
Molecular Weight
397.150
Molecular Weight
397.42
Molecular Formula
C22H23NO6
Molecular Formula
C22H23NO6
Molecular Formula
C22H23NO6
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.800
Quantitative Estimate Of Drug Likeness（Qed）
0.790