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
- 16438
- Core Entity Id
- 21440
- Source Entity Count
- 1
- Preferred Name
- Dehydrocorydalmine
- Name En
- Pubchem Id
- 3083983
- Smiles Canonical
- COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)OC
- Molecular Formula
- C20H20NO4+
- Molecular Weight
- 338.3830
- Inchikey
- VQSYXVWEZATIHL-UHFFFAOYSA-O
- Inchi
- InChI=1S/C20H19NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,8-11H,6-7H2,1-3H3/p+1
- Isomeric Smiles
- COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)OC
- Cas Id
- 6877-27-6
- Ob Score
- 43.8975
- Mol Logp
- 3.0818
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dehydrocorydalmine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dehydrocorydalmine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dehydrocorydalmine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dehydrocorydalmine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dehydrocorydalmine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-ol
Role
alias
Source
TCMBank
Preferred
No
Name
2,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-HYDROXY-4,10,11-TRIMETHOXY-7,8-DIHYDRO-6??-AZATETRAPHEN-6-YLIUM
Role
alias
Source
TCMBank
Preferred
No
Name
6877-27-6
Role
alias
Source
TCMBank
Preferred
No
Name
6877-27-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
6877-27-6
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1MJ1O8
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50328691
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50328691
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50328691
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:70645
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:70645
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:70645
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1270747
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1270747
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1270747
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1618061
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1618061
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1618061
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10218876
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10218876
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID10218876
Role
alias
Source
HERB_v2
Preferred
No
Name
Dehydrocorydalmine Trifluoroacetate
Role
alias
Source
HERB_v2
Preferred
No
Name
Dehydrocorydalmine Trifluoroacetate
Role
alias
Source
TCMBank
Preferred
No
Name
Dehydrocorydalmine Trifluoroacetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dibenzo(a,g)quinolizinium, 5,6-dihydro-10-hydroxy-2,3,9-trimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Dibenzo(a,g)quinolizinium, 5,6-dihydro-10-hydroxy-2,3,9-trimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Dibenzo(a,g)quinolizinium, 5,6-dihydro-10-hydroxy-2,3,9-trimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
dehydrocorydalmine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-ol3-HYDROXY-4,10,11-TRIMETHOXY-7,8-DIHYDRO-6??-AZATETRAPHEN-6-YLIUM6877-27-6AC1MJ1O8BDBM50328691CHEBI:70645CHEMBL1270747CHEMBL1618061DTXSID10218876Dehydrocorydalmine TrifluoroacetateDibenzo(a,g)quinolizinium, 5,6-dihydro-10-hydroxy-2,3,9-trimethoxy-
Cross References
Trusted external identifiers retained for this final record.
Cas
6877-27-6
Herb
HBIN022999
Npass
NPC50864
Tcmid
4889
Tcmsp
MOL004205
Sym Map
SMIT06166SMIT14943
Pub Chem
3083983
Tcmbank
TCMBANKIN017012
Etcm Ingredient
Dehydrocorydalmine
Itcmdb Generated
ITX-INGREDIENT-7759FC648474
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H19NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,8-11H,6-7H2,1-3H3/p+1
Mol Wt
338.383
Cas Id
6877-27-6
Smiles
COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)OC
Mol Log P
3.081800000000001
Version
v1,v2
In Ch Ikey
VQSYXVWEZATIHL-UHFFFAOYSA-O
Ob Score
43.89752143.8975214843.898
Suppress
1
Num Hdonors
1
Drug Likeness
0.746
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)OC
Molecule Weight
338.41
Canonical Smiles
COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)OC
Herb Alias Names
6877-27-6CHEBI:706452,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-olDibenzo(a,g)quinolizinium, 5,6-dihydro-10-hydroxy-2,3,9-trimethoxy-CHEMBL1270747Dehydrocorydalmine TrifluoroacetateCHEMBL1618061DTXSID10218876BDBM50328691
Molecular Weight
338.140
Molecular Weight
338.4 g/mol
Molecule Formula
C20H20NO4+
Molecular Formula
C20H20NO4+
Molecular Formula
C20H20NO4+
Molecular Formula
C20H20NO4+
Num Rotatable Bonds
3
Link Ingredient Id
6166.0
Fda Maximum Daily Dose (Fdamdd)
0.734
Quantitative Estimate Of Drug Likeness（Qed）
0.746