Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 5Herb: 12Ingredient: 1Reference: 7Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32511
- Core Entity Id
- 39328
- Source Entity Count
- 1
- Preferred Name
- Sanguinarine
- Name En
- Pubchem Id
- 5154
- Smiles Canonical
- C1([H])=C([H])C2=C(OC([H])([H])O2)C(=C3[H])C1=C(C([H])=C([H])c(c([H])c(OC([H])([H])O4)c4c5[H])c56)C6=N3C([H])([H])[H]
- Molecular Formula
- C20H14NO4+
- Molecular Weight
- 332.3350
- Inchikey
- INVGWHRKADIJHF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
- Isomeric Smiles
- C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
- Cas Id
- 2447-54-3
- Ob Score
- 37.8077
- Mol Logp
- 3.4281
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sanguinarine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sanguinarine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sanguinarine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sanguinarine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sanguinarine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
荷包牡丹根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HE BAO MU DAN GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Showy Bleedingheart Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2447-54-3
Role
alias
Source
HERB_v2
Preferred
No
Name
2447-54-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimethylenedioxy benzphenanthridine
Role
alias
Source
HERB_v2
Preferred
No
Name
Dimethylenedioxy benzphenanthridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pseudochelerythrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Pseudochelerythrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
SANGUINARIUM
Role
alias
Source
itcmdb_public
Preferred
No
Name
SANGUINARIUM
Role
alias
Source
HERB_v2
Preferred
No
Name
Sangrovit
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sangrovit
Role
alias
Source
HERB_v2
Preferred
No
Name
Sanguinarin
Role
alias
Source
HERB_v2
Preferred
No
Name
Sanguinarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Veadent
Role
alias
Source
HERB_v2
Preferred
No
Name
Veadent
Role
alias
Source
itcmdb_public
Preferred
No
Name
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
sangvinarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
sangvinarin
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-35607
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-59270
Role
alias
Source
TCMBank
Preferred
No
Name
Sanguinarine, 8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
[1,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-, nitrate,sanguiritrin
Role
alias
Source
TCMBank
Preferred
No
Name
sanguinarine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
荷包牡丹根HE BAO MU DAN GENShowy Bleedingheart Root2447-54-3Dimethylenedioxy benzphenanthridinePseudochelerythrineSANGUINARIUMSangrovitSanguinarinVeadent[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-sangvinarinNSC-35607NSC-59270Sanguinarine, 8CI)[1,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-, nitrate,sanguiritrin
Cross References
Trusted external identifiers retained for this final record.
Cas
2447-54-3
Hit
C0388
Herb
HBIN043028HBIN043029
Npass
NPC46451
Tcmid
19269
Tcmsp
MOL001474
Sym Map
SMIT00109
Tcm Id
126511114111151111611117111181111911120111211112211123111241146911470135941541615417154181591815919159201592115922159231871618717187181871918720187211872218723187241872518726187271879718798187991880023842
Pub Chem
5154
Tcmbank
TCMBANKIN052724TCMBANKIN058003
Etcm Ingredient
Sanguinarine
Itcmdb Generated
ITX-INGREDIENT-1BCAED767DC8ITX-INGREDIENT-F3544E28BFAE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
Mol Wt
332.3350000000001
Cas Id
2447-54-3
Smiles
C1([H])=C([H])C2=C(OC([H])([H])O2)C(=C3[H])C1=C(C([H])=C([H])c(c([H])c(OC([H])([H])O4)c4c5[H])c56)C6=N3C([H])([H])[H]
Mol Log P
3.428100000000001
Version
v1,v2
In Ch Ikey
INVGWHRKADIJHF-UHFFFAOYSA-N
Ob Score
37.8076775237.808
Suppress
0
Tcm Name
荷包牡丹根
Tcm Name2
HE BAO MU DAN GEN
Mol2 Path
/TCM_database/2003_3d_all/7493.mol2
Reference
4, 6, 658, 5364, 5369, 5508.
Num Hdonors
0
Tcm Name En
Showy Bleedingheart Root
Drug Likeness
0.365
Num Hacceptors
4
Isomeric Smiles
C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Molecule Weight
332.35
Canonical Smiles
C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Herb Alias Names
2447-54-3PseudochelerythrineSanguinarinsangvinarinSANGUINARIUMVeadentSangrovitDimethylenedioxy benzphenanthridine[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium, 13-methyl-
Molecular Weight
332.090
Molecular Weight
332.3 g/mol
Molecule Formula
C20H14NO4
Molecular Formula
C20H14NO4+
Molecular Formula
C20H14NO4
Molecular Formula
C20H14NO4+
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.858
Quantitative Estimate Of Drug Likeness（Qed）
0.365