Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 5Herb: 2Ingredient: 1Target: 12Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15261
- Core Entity Id
- 20129
- Source Entity Count
- 1
- Preferred Name
- Cortisone
- Name En
- Pubchem Id
- 222786
- Smiles Canonical
- CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C
- Molecular Formula
- C21H28O5
- Molecular Weight
- 360.4500
- Inchikey
- MFYSYFVPBJMHGN-ZPOLXVRWSA-N
- Inchi
- InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
- Isomeric Smiles
- C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.9898
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cortisone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cortisone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cortisone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
53-06-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
53-06-5
Role
alias
Source
HERB_v2
Preferred
No
Name
Adrenalex
Role
alias
Source
itcmdb_public
Preferred
No
Name
Adrenalex
Role
alias
Source
HERB_v2
Preferred
No
Name
Andreson
Role
alias
Source
HERB_v2
Preferred
No
Name
Andreson
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cortisal
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cortisal
Role
alias
Source
HERB_v2
Preferred
No
Name
Cortisate
Role
alias
Source
HERB_v2
Preferred
No
Name
Cortisate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cortistal
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cortistal
Role
alias
Source
HERB_v2
Preferred
No
Name
Cortivite
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cortivite
Role
alias
Source
HERB_v2
Preferred
No
Name
Kendall's compound E
Role
alias
Source
HERB_v2
Preferred
No
Name
Kendall's compound E
Role
alias
Source
itcmdb_public
Preferred
No
Name
Reichstein's substance FA
Role
alias
Source
HERB_v2
Preferred
No
Name
Reichstein's substance FA
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
53-06-5AdrenalexAndresonCortisalCortisateCortistalCortiviteKendall's compound EReichstein's substance FA
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021533
Npass
NPC233118
Tcmid
4097
Tcm Id
5480
Pub Chem
222786
Tcmbank
TCMBANKIN036276
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
Mol Wt
360.4500000000001
Smiles
CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C
Mol Log P
1.9898
In Ch Ikey
MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Num Hdonors
2
Drug Likeness
0.786
Num Hacceptors
5
Isomeric Smiles
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
Canonical Smiles
CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C
Herb Alias Names
53-06-5Kendall's compound ECortisateCortistalCortiviteAndresonCortisalReichstein's substance FAAdrenalex
Molecular Weight
360.4 g/mol
Molecular Formula
C21H28O5
Molecular Formula
C21H28O5
Num Rotatable Bonds
2