Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33934
- Core Entity Id
- 40915
- Source Entity Count
- 1
- Preferred Name
- Stepharanine
- Name En
- Pubchem Id
- 10358881
- Smiles Canonical
- COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)O
- Molecular Formula
- C19H18NO4+
- Molecular Weight
- 324.3560
- Inchikey
- BENXORZPKXUGMY-UHFFFAOYSA-O
- Inchi
- InChI=1S/C19H17NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,7-10H,5-6H2,1-2H3,(H-,21,22)/p+1
- Isomeric Smiles
- COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)O
- Cas Id
- 17369-30-1
- Ob Score
- 77.7947
- Mol Logp
- 2.7788
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Stepharanine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Stepharanine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Stepharanine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Stepharanine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Stepharanine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
stepharanine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
青牛胆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QING NIU DAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Arrowshaped Tinospora
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
17369-30-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
17369-30-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2,10-dihydroxy-3,9-dimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium
Role
alias
Source
HERB_v2
Preferred
No
Name
2,10-dihydroxy-3,9-dimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,10-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,10-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:132718
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:132718
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL251229
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL251229
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID501317825
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID501317825
Role
alias
Source
HERB_v2
Preferred
No
Name
Stepharanin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stepharanin
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
青牛胆QING NIU DANArrowshaped Tinospora17369-30-12,10-dihydroxy-3,9-dimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium3,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,10-diolCHEBI:132718CHEMBL251229DTXSID501317825Stepharanin
Cross References
Trusted external identifiers retained for this final record.
Cas
17369-30-1
Herb
HBIN044796
Npass
NPC112206
Tcmid
20305
Tcmsp
MOL006443
Sym Map
SMIT08057
Tcm Id
765
Pub Chem
10358881
Tcmbank
TCMBANKIN049505
Etcm Ingredient
stepharanine
Itcmdb Generated
ITX-INGREDIENT-85511CC1509C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H17NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,7-10H,5-6H2,1-2H3,(H-,21,22)/p+1
Mol Wt
324.356
Cas Id
17369-30-1
Mol Log P
2.778800000000001
Version
v1,v2
In Ch Ikey
BENXORZPKXUGMY-UHFFFAOYSA-O
Ob Score
77.79469877.7946981477.795
Suppress
0
Tcm Name
青牛胆
Tcm Name2
QING NIU DAN
Mol2 Path
/TCM_database/2007_3d_all/20321.mol2
Reference
660
Num Hdonors
2
Tcm Name En
Arrowshaped Tinospora
Drug Likeness
0.712
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)O
Molecule Weight
324.38
Canonical Smiles
COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)O
Herb Alias Names
CHEMBL25122917369-30-1CHEBI:1327183,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,10-diol2,10-dihydroxy-3,9-dimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-iumStepharanin3,9-dimethoxy-5,6-dihydroisoquinolino(2,1-b)isoquinolin-7-ium-2,10-diol2,10-dihydroxy-3,9-dimethoxy-5,6-dihydroisoquinolino(3,2-a)isoquinolin-7-iumDTXSID501317825
Molecular Weight
324.120
Molecular Weight
324.3 g/mol
Molecular Formula
C19H18NO4+
Molecular Formula
C19H18NO4+
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.858
Quantitative Estimate Of Drug Likeness（Qed）
0.712