Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 12Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33937
- Core Entity Id
- 40919
- Source Entity Count
- 1
- Preferred Name
- Stepholidine
- Name En
- Pubchem Id
- 6917970
- Smiles Canonical
- COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O
- Molecular Formula
- C19H21NO4
- Molecular Weight
- 327.3800
- Inchikey
- JKPISQIIWUONPB-HNNXBMFYSA-N
- Inchi
- InChI=1S/C19H21NO4/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/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
- Isomeric Smiles
- COC1=C(C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O
- Cas Id
- 16562-13-3
- Ob Score
- 33.1063
- Mol Logp
- 2.7705
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Stepholidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Stepholidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Stepholidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Stepholidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Stepholidine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
BIAN FU GE GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Asiatic Moonseed Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-Stepholidine
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Stepholidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
0UPX3E69W8
Role
alias
Source
itcmdb_public
Preferred
No
Name
0UPX3E69W8
Role
alias
Source
HERB_v2
Preferred
No
Name
16562-13-3
Role
alias
Source
HERB_v2
Preferred
No
Name
16562-13-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (13aS)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (13aS)-
Role
alias
Source
HERB_v2
Preferred
No
Name
L-(S)-Stepholidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-(S)-Stepholidine
Role
alias
Source
HERB_v2
Preferred
No
Name
S-Stepholidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
S-Stepholidine
Role
alias
Source
HERB_v2
Preferred
No
Name
STEPHOLIDINE [WHO-DD]
Role
alias
Source
itcmdb_public
Preferred
No
Name
STEPHOLIDINE [WHO-DD]
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-0UPX3E69W8
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-0UPX3E69W8
Role
alias
Source
itcmdb_public
Preferred
No
Name
l-Stepholidine
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Stepholidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-SPD
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
L-Spd
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
l-SPD
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(13aS)-5,8,13,13a-Tetrahydro-3,9-dimethoxy-6H-dibenzo[a,g]quinolizine-2,10-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-3,9-Dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline-2,10-diol
Role
alias
Source
TCMBank
Preferred
No
Name
13a-alpha-BERBINE-2,10-DIOL, 3,9-DIMETHOXY-
Role
alias
Source
TCMBank
Preferred
No
Name
3,9-Dimethoxy-13a
Role
alias
Source
TCMBank
Preferred
No
Name
3,9-Dimethoxy-13a-alpha-berbine-2,10-diol
Role
alias
Source
TCMBank
Preferred
No
Name
6H-Dibenzo(a,g)quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (S)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
A-Berbine-2,10-diol
Role
alias
Source
TCMBank
Preferred
No
Name
AC1OCEV4
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-80945
Role
alias
Source
TCMBank
Preferred
No
Name
AK-60162
Role
alias
Source
TCMBank
Preferred
No
Name
ANW-61130
Role
alias
Source
TCMBank
Preferred
No
Name
AX8032195
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50378584
Role
alias
Source
TCMBank
Preferred
No
Name
BG01616132
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL487387
Role
alias
Source
TCMBank
Preferred
No
Name
CS-1253
Role
alias
Source
TCMBank
Preferred
No
Name
CTK8B8727
Role
alias
Source
TCMBank
Preferred
No
Name
D0L7OM
Role
alias
Source
TCMBank
Preferred
No
Name
DIB014
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0628017
Role
alias
Source
TCMBank
Preferred
No
Name
GTPL8370
Role
alias
Source
TCMBank
Preferred
No
Name
HY-17415
Role
alias
Source
TCMBank
Preferred
No
Name
KB-211381
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-020-005-719
Role
alias
Source
TCMBank
Preferred
No
Name
Q-100198
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL10001966
Role
alias
Source
TCMBank
Preferred
No
Name
ST24036048
Role
alias
Source
TCMBank
Preferred
No
Name
TR-007130
Role
alias
Source
TCMBank
Preferred
No
Name
W-5088
Role
alias
Source
TCMBank
Preferred
No
Name
X1178
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC22066528
Role
alias
Source
TCMBank
Preferred
No
Name
l-2,10-Dihydroxy-3,9-dimethyloxytetrahydropseudoberberine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
BIAN FU GE GENAsiatic Moonseed Root(-)-Stepholidine0UPX3E69W816562-13-36H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (13aS)-L-(S)-StepholidineS-StepholidineSTEPHOLIDINE [WHO-DD]UNII-0UPX3E69W8l-StepholidineL-SPD(13aS)-3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol(13aS)-5,8,13,13a-Tetrahydro-3,9-dimethoxy-6H-dibenzo[a,g]quinolizine-2,10-diol(S)-3,9-Dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline-2,10-diol13a-alpha-BERBINE-2,10-DIOL, 3,9-DIMETHOXY-3,9-Dimethoxy-13a3,9-Dimethoxy-13a-alpha-berbine-2,10-diol6H-Dibenzo(a,g)quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (S)- (9CI)A-Berbine-2,10-diolAC1OCEV4AJ-80945AK-60162ANW-61130AX8032195BDBM50378584BG01616132CHEMBL487387CS-1253CTK8B8727D0L7OMDIB014FT-0628017GTPL8370HY-17415KB-211381MolPort-020-005-719Q-100198SCHEMBL10001966ST24036048TR-007130W-5088X1178ZINC22066528l-2,10-Dihydroxy-3,9-dimethyloxytetrahydropseudoberberine
Cross References
Trusted external identifiers retained for this final record.
Cas
16562-13-3
Hit
C0417
Herb
HBIN044799HBIN033611HBIN044800
Npass
NPC189266
Tcmid
20308
Tcmsp
MOL000627MOL012922
Sym Map
SMIT03182SMIT13640SMIT17789
Tcm Id
12181121821218312184121851218614365143661436714368
Pub Chem
6917970
Tcmbank
TCMBANKIN048327TCMBANKIN061555
Etcm Ingredient
StepholidineL-SPD
Itcmdb Generated
ITX-INGREDIENT-8E1A95931CF1ITX-INGREDIENT-D7D8AD4D3D1AITX-INGREDIENT-850F4E2B50FA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H21NO4/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/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
Mol Wt
327.38
Cas Id
16562-13-3
Smiles
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O
Mol Log P
2.770500000000002
Version
v1,v2
In Ch Ikey
JKPISQIIWUONPB-HNNXBMFYSA-N
Ob Score
33.1062507433.10625074;87.34740358
Suppress
1
Tcm Name2
BIAN FU GE GEN
Mol2 Path
/TCM_database/2007_3d_all/20324.mol2
Reference
6
Num Hdonors
2
Tcm Name En
Asiatic Moonseed Root
Drug Likeness
0.888
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O
Molecule Weight
327.41
Canonical Smiles
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O
Herb Alias Names
l-Stepholidine16562-13-3(-)-StepholidineS-Stepholidine6H-Dibenzo[a,g]quinolizine-2,10-diol, 5,8,13,13a-tetrahydro-3,9-dimethoxy-, (13aS)-0UPX3E69W8L-(S)-StepholidineUNII-0UPX3E69W8STEPHOLIDINE [WHO-DD]
Molecular Weight
327.150
Molecular Weight
327.37
Molecular Formula
C19H21NO4
Molecular Formula
C19H21NO4
Molecular Formula
C19H21NO4
Num Rotatable Bonds
2
Link Ingredient Id
3182.0
Fda Maximum Daily Dose (Fdamdd)
0.962
Quantitative Estimate Of Drug Likeness（Qed）
0.888