Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Meta-analysis: 12Target: 12Links: 27
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6323
- Core Entity Id
- 10208
- Source Entity Count
- 1
- Preferred Name
- 17-hydroxycorticosterone
- Name En
- Pubchem Id
- 5754
- Smiles Canonical
- CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
- Molecular Formula
- C21H30O5
- Molecular Weight
- 362.4660
- Inchikey
- JYGXADMDTFJGBT-VWUMJDOOSA-N
- Inchi
- InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
- Isomeric Smiles
- C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7816
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
17-Hydroxycorticosterone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
17-hydroxycorticosterone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
17-hydroxycorticosterone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
17-hydroxycorticosterone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-Pregnene-17α,20β,21-triol-3,11-dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-pregnene-17α,20β,21-triol-3,11-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-pregnene-17α,20β,21-triol-3,11-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
紫河车
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI HE CHE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Human Placenta
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
50-23-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
50-23-7
Role
alias
Source
HERB_v2
Preferred
No
Name
Acticort
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acticort
Role
alias
Source
HERB_v2
Preferred
No
Name
Cetacort
Role
alias
Source
HERB_v2
Preferred
No
Name
Cetacort
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cobadex
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cobadex
Role
alias
Source
HERB_v2
Preferred
No
Name
Cortef
Role
alias
Source
HERB_v2
Preferred
No
Name
Cortef
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cortisol
Role
alias
Source
HERB_v2
Preferred
No
Name
Cortisol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydrasson
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydrasson
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydrocortisyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydrocortisyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydrocortone
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydrocortone
Role
alias
Source
itcmdb_public
Preferred
No
Name
hydrocortisone
Role
alias
Source
itcmdb_public
Preferred
No
Name
hydrocortisone
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-Pregnene-17α,20β,21-triol-3,11-dione紫河车ZI HE CHEHuman Placenta50-23-7ActicortCetacortCobadexCortefCortisolHydrassonHydrocortisylHydrocortonehydrocortisone
Cross References
Trusted external identifiers retained for this final record.
Hit
C0129
Herb
HBIN002055HBIN010825
Npass
NPC18509NPC251722
Tcmid
177909936
Pub Chem
5754
Tcmbank
TCMBANKIN015949TCMBANKIN017972TCMBANKIN060075
Drug Bank
DB00741
Etcm Ingredient
17-Hydroxycorticosterone
Itcmdb Generated
ITX-INGREDIENT-4418F9BD502EITX-INGREDIENT-F037941DC2EB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
Mol Wt
362.4660000000001
Smiles
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
Mol Log P
1.7816
In Ch Ikey
JYGXADMDTFJGBT-VWUMJDOOSA-N
Tcm Name
紫河车
Tcm Name2
ZI HE CHE
Mol2 Path
/TCM_database/2007_3d_all/17804.mol2
Reference
660
Num Hdonors
3
Tcm Name En
Human Placenta
Drug Likeness
0.696
Num Hacceptors
5
Isomeric Smiles
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
Canonical Smiles
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
Herb Alias Names
hydrocortisoneCortisol50-23-7ActicortCetacortCortefHydrassonHydrocortisylHydrocortoneCobadex
Molecular Weight
362.210
Molecular Weight
362.5 g/mol
Molecular Formula
C21H30O5
Molecular Formula
C21H30O5
Molecular Formula
C21H30O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.836
Quantitative Estimate Of Drug Likeness（Qed）
0.651