Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39053
- Core Entity Id
- 70187
- Source Entity Count
- 1
- Preferred Name
- 17-hydroxy-11-deoxy-corticosterone
- Name En
- Pubchem Id
- 440707
- Smiles Canonical
- CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C
- Molecular Formula
- C21H30O4
- Molecular Weight
- 346.4670
- Inchikey
- WHBHBVVOGNECLV-OBQKJFGGSA-N
- Inchi
- InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
- Isomeric Smiles
- C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.8108
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
17-hydroxy-11-deoxy-corticosterone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
17-hydroxy-11-deoxy-corticosterone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
17-hydroxy-11-deoxy-corticosterone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
11-Deoxycortisol
Role
alias
Source
HERB_v2
Preferred
No
Name
11-Deoxycortisol
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-Deoxyhydrocortisone
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-Deoxyhydrocortisone
Role
alias
Source
HERB_v2
Preferred
No
Name
11-Desoxycortisol
Role
alias
Source
HERB_v2
Preferred
No
Name
11-Desoxycortisol
Role
alias
Source
itcmdb_public
Preferred
No
Name
152-58-9
Role
alias
Source
HERB_v2
Preferred
No
Name
152-58-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
17,21-Dihydroxyprogesterone
Role
alias
Source
itcmdb_public
Preferred
No
Name
17,21-Dihydroxyprogesterone
Role
alias
Source
HERB_v2
Preferred
No
Name
CORTODOXONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
CORTODOXONE
Role
alias
Source
HERB_v2
Preferred
No
Name
Cortexolone
Role
alias
Source
HERB_v2
Preferred
No
Name
Cortexolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cortisol, 11-deoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cortisol, 11-deoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Reichstein S
Role
alias
Source
HERB_v2
Preferred
No
Name
Reichstein S
Role
alias
Source
itcmdb_public
Preferred
No
Name
Reichstein's substance S
Role
alias
Source
HERB_v2
Preferred
No
Name
Reichstein's substance S
Role
alias
Source
itcmdb_public
Preferred
No
Name
17-Oxycorticosterone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
17-oxycorticosterone
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
11-Deoxycortisol11-Deoxyhydrocortisone11-Desoxycortisol152-58-917,21-DihydroxyprogesteroneCORTODOXONECortexoloneCortisol, 11-deoxy-Reichstein SReichstein's substance S17-Oxycorticosterone
Cross References
Trusted external identifiers retained for this final record.
Hit
C1255
Herb
HBIN002048HBIN002067
Npass
NPC310010
Tcmid
253899985
Sym Map
SMIT18848
Pub Chem
440707
Tcmbank
TCMBANKIN039273TCMBANKIN060077
Etcm Ingredient
17-Oxycorticosterone
Itcmdb Generated
ITX-INGREDIENT-5434242D01CC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
Mol Wt
346.467
Smiles
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C
Mol Log P
2.810800000000002
Version
v1,v2
In Ch Ikey
WHBHBVVOGNECLV-OBQKJFGGSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/09986.mol2
Reference
6
Num Hdonors
2
Drug Likeness
0.806
Num Hacceptors
4
Isomeric Smiles
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
Canonical Smiles
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C
Herb Alias Names
CortexoloneCORTODOXONE11-Deoxycortisol152-58-9Reichstein's substance S11-Desoxycortisol11-Deoxyhydrocortisone17,21-DihydroxyprogesteroneCortisol, 11-deoxy-Reichstein S
Molecular Weight
362.210
Molecular Weight
346.5 g/mol
Molecular Formula
C21H30O5
Molecular Formula
C21H30O4
Molecular Formula
C21H30O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.836
Quantitative Estimate Of Drug Likeness（Qed）
0.651