Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34969
- Core Entity Id
- 42056
- Source Entity Count
- 1
- Preferred Name
- Tetrahydrocorysamine
- Name En
- Pubchem Id
- 14315597
- Smiles Canonical
- CC1C2C3=CC4=C(C=C3CCN2CC5=C1C=CC6=C5OCO6)OCO4
- Molecular Formula
- C20H19NO4
- Molecular Weight
- 337.3750
- Inchikey
- UKIOTQZYKUPESG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3
- Isomeric Smiles
- CC1C2C3=CC4=C(C=C3CCN2CC5=C1C=CC6=C5OCO6)OCO4
- Cas Id
- 32043-26-8
- Ob Score
- 34.1720
- Mol Logp
- 3.3605
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tetrahydrocorysamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tetrahydrocorysamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tetrahydrocorysamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tetrahydrocorysamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tetrahydrocorysamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
AKOS000277823
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS000277823
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS000277823
Role
alias
Source
HERB_v2
Preferred
No
Name
tetrahydrocorysamine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
AKOS000277823
Cross References
Trusted external identifiers retained for this final record.
Cas
32043-26-8
Herb
HBIN046067
Npass
NPC92650
Tcmid
21046
Tcmsp
MOL004231MOL008644
Sym Map
SMIT01227
Pub Chem
143155975321847
Tcmbank
TCMBANKIN005906
Etcm Ingredient
Tetrahydrocorysamine
Itcmdb Generated
ITX-INGREDIENT-89DA37F8237C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3
Mol Wt
337.3750000000001
Cas Id
32043-26-8
Smiles
CC1C2C3=CC4=C(C=C3CCN2CC5=C1C=CC6=C5OCO6)OCO4
Mol Log P
3.360500000000001
Version
v1,v2
In Ch Ikey
UKIOTQZYKUPESG-UHFFFAOYSA-N
Ob Score
34.1719687134.17196934.172
Suppress
0
Num Hdonors
0
Drug Likeness
0.737
Num Hacceptors
5
Isomeric Smiles
CC1C2C3=CC4=C(C=C3CCN2CC5=C1C=CC6=C5OCO6)OCO4
Molecule Weight
337.4
Canonical Smiles
CC1C2C3=CC4=C(C=C3CCN2CC5=C1C=CC6=C5OCO6)OCO4
Herb Alias Names
AKOS000277823
Molecular Weight
337.130
Molecular Weight
337.37
Molecule Formula
C20H19NO4
Molecular Formula
C20H19NO4
Molecular Formula
C20H19NO4
Molecular Formula
C20H19NO4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.918
Quantitative Estimate Of Drug Likeness（Qed）
0.737