Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17103
- Core Entity Id
- 22181
- Source Entity Count
- 1
- Preferred Name
- Dihydrochelerythrine
- Name En
- Pubchem Id
- 485077
- Smiles Canonical
- CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5
- Molecular Formula
- C21H19NO4
- Molecular Weight
- 349.3860
- Inchikey
- ALZAZMCIBRHMFF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H19NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-9H,10-11H2,1-3H3
- Isomeric Smiles
- CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5
- Cas Id
- 6880-91-7
- Ob Score
- 32.7318
- Mol Logp
- 4.2025
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydrochelerythrine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dihydrochelerythrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihydrochelerythrine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dihydrochelerythrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydrochelerythrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-1,2-dimethoxy-12-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
(1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-1,2-dimethoxy-12-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dimethoxy-12-methyl-12,13-dihydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Dimethoxy-12-methyl-12,13-dihydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dimethoxy-12-methyl-12,13-dihydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine
Role
alias
Source
TCMBank
Preferred
No
Name
1,2-dimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridine
Role
alias
Source
TCMBank
Preferred
No
Name
1,2-dimethoxy-12-methyl-13H-(1,3)benzodioxolo(5,6-c)phenanthridine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Role
alias
Source
TCMBank
Preferred
No
Name
1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Role
alias
Source
HERB_v2
Preferred
No
Name
12,13-Dihydrochelerythrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
12,13-Dihydrochelerythrine
Role
alias
Source
TCMBank
Preferred
No
Name
12,13-Dihydrochelerythrine
Role
alias
Source
HERB_v2
Preferred
No
Name
17,18-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1,3,8,10,12,14(19),15,17-OCTAENE
Role
alias
Source
TCMBank
Preferred
No
Name
3037AH
Role
alias
Source
TCMBank
Preferred
No
Name
3arw
Role
alias
Source
itcmdb_public
Preferred
No
Name
3arw
Role
alias
Source
HERB_v2
Preferred
No
Name
3arw
Role
alias
Source
TCMBank
Preferred
No
Name
3as1
Role
alias
Source
TCMBank
Preferred
No
Name
3as1
Role
alias
Source
HERB_v2
Preferred
No
Name
3as1
Role
alias
Source
itcmdb_public
Preferred
No
Name
4CN-2633
Role
alias
Source
TCMBank
Preferred
No
Name
6880-91-7
Role
alias
Source
HERB_v2
Preferred
No
Name
6880-91-7
Role
alias
Source
TCMBank
Preferred
No
Name
6880-91-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1LABLI
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q703V
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS106788
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS032948894
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL400359
Role
alias
Source
TCMBank
Preferred
No
Name
CS-3820
Role
alias
Source
TCMBank
Preferred
No
Name
CTK5C8487
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID70218913
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70218913
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID70218913
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N0903
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-000-165-434
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL3864468
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC04716567
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC4716567
Role
alias
Source
TCMBank
Preferred
No
Name
[1,3]Benzodioxolo[5,6-c]phenanthridine,12,13- dihydro-1,2-dimethoxy-12-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
dihydrochelerythrine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-1,2-dimethoxy-12-methyl-1,2-Dimethoxy-12-methyl-12,13-dihydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine1,2-dimethoxy-12-methyl-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridine1,2-dimethoxy-12-methyl-13H-(1,3)benzodioxolo(5,6-c)phenanthridine1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine12,13-Dihydrochelerythrine17,18-DIMETHOXY-21-METHYL-5,7-DIOXA-21-AZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(1)?]HENICOSA-1,3,8,10,12,14(19),15,17-OCTAENE3037AH3arw3as14CN-26336880-91-7AC1LABLIAC1Q703VAIDS106788AKOS032948894CHEMBL400359CS-3820CTK5C8487DTXSID70218913HY-N0903MolPort-000-165-434SCHEMBL3864468ZINC04716567ZINC4716567[1,3]Benzodioxolo[5,6-c]phenanthridine,12,13- dihydro-1,2-dimethoxy-12-methyl-
Cross References
Trusted external identifiers retained for this final record.
Cas
6880-91-7
Herb
HBIN023839
Npass
NPC179704
Tcmid
5557
Tcmsp
MOL001461
Sym Map
SMIT01215
Tcm Id
15680161564902
Pub Chem
485077
Tcmbank
TCMBANKIN022132
Etcm Ingredient
Dihydrochelerythrine
Itcmdb Generated
ITX-INGREDIENT-6FFC962A7E0D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H19NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-9H,10-11H2,1-3H3
Mol Wt
349.3860000000001
Cas Id
6880-91-7
Smiles
CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5
Mol Log P
4.202500000000004
Version
v1,v2
In Ch Ikey
ALZAZMCIBRHMFF-UHFFFAOYSA-N
Ob Score
32.73180832.7318083832.732
Suppress
0
Num Hdonors
0
Drug Likeness
0.693
Num Hacceptors
5
Isomeric Smiles
CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5
Molecule Weight
349.41
Canonical Smiles
CN1CC2=C(C=CC(=C2OC)OC)C3=C1C4=CC5=C(C=C4C=C3)OCO5
Herb Alias Names
6880-91-712,13-Dihydrochelerythrine1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine1,2-Dimethoxy-12-methyl-12,13-dihydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridineDTXSID70218913(1,3)Benzodioxolo(5,6-c)phenanthridine, 12,13-dihydro-1,2-dimethoxy-12-methyl-1,2-dimethoxy-12-methyl-13H-(1,3)benzodioxolo(5,6-c)phenanthridine3arw3as1
Molecular Weight
347.150
Molecular Weight
349.38
Molecule Formula
C21H19NO4
Molecular Formula
C22H21NO3
Molecular Formula
C21H19NO4
Molecular Formula
C21H19NO4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.822
Quantitative Estimate Of Drug Likeness（Qed）
0.687