Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 2Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15197
- Core Entity Id
- 20057
- Source Entity Count
- 1
- Preferred Name
- Coreximine
- Name En
- Pubchem Id
- 7037179
- Smiles Canonical
- COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O
- Molecular Formula
- C19H21NO4
- Molecular Weight
- 327.3800
- Inchikey
- BWUQAWCUJMATJS-HNNXBMFYSA-N
- Inchi
- InChI=1S/C19H21NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3/t15-/m0/s1
- Isomeric Smiles
- COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O
- Cas Id
- 483-45-4
- Ob Score
- 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
Coreximine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coreximine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Coreximine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
coreximine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Coreximine
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Coreximine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(+)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,11-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(+)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,11-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-(+)-Coreximine
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-Coreximine
Role
alias
Source
itcmdb_public
Preferred
No
Name
483-45-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
483-45-4
Role
alias
Source
HERB_v2
Preferred
No
Name
6H-Dibenzo(a,g)quinolizine-2,11-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H-Dibenzo(a,g)quinolizine-2,11-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9T6OLW325N
Role
alias
Source
itcmdb_public
Preferred
No
Name
9T6OLW325N
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9T6OLW325N
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9T6OLW325N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Coreximine(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol(S)-(+)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,11-diol(S)-(+)-Coreximine(S)-Coreximine483-45-46H-Dibenzo(a,g)quinolizine-2,11-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (S)-9T6OLW325NUNII-9T6OLW325N
Cross References
Trusted external identifiers retained for this final record.
Cas
483-45-4
Herb
HBIN021463
Npass
NPC88249
Tcmid
4050
Tcm Id
5499
Pub Chem
7037179
Tcmbank
TCMBANKIN014190
Etcm Ingredient
Coreximine
Itcmdb Generated
ITX-INGREDIENT-61B5A11CE41E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H21NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h6-9,15,21-22H,3-5,10H2,1-2H3/t15-/m0/s1
Mol Wt
327.38
Cas Id
483-45-4
Smiles
COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O
Mol Log P
2.770500000000002
In Ch Ikey
BWUQAWCUJMATJS-HNNXBMFYSA-N
Num Hdonors
2
Drug Likeness
0.888
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=C2[C@@H]3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O
Canonical Smiles
COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)O)O
Herb Alias Names
483-45-4(S)-(+)-Coreximine(S)-Coreximine(-)-CoreximineUNII-9T6OLW325N9T6OLW325N(13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,11-diol6H-Dibenzo(a,g)quinolizine-2,11-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (S)-(S)-(+)-5,8,13,13a-Tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,11-diol
Molecular Weight
327.150
Molecular Weight
327.37
Molecular Formula
C19H21NO4
Molecular Formula
C19H21NO4
Molecular Formula
C19H21NO4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.944
Quantitative Estimate Of Drug Likeness（Qed）
0.888