ITCMDBv1
IngredientID 15259

Corticosterone

C21H30O4

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Experiment: 6Herb: 3Ingredient: 1Reference: 5Target: 12Links: 26
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
15259
Core Entity Id
20126
Source Entity Count
1
Preferred Name
Corticosterone
Name En
Pubchem Id
5753
Smiles Canonical
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C(C([H])([H])O[H])=O)C([H])([H])C([H])([H])C2([H])[H])[C@]23[H])[C@@]3([H])C([H])([H]) C4([H])[H])C4=C([H])C1=O
Molecular Formula
C21H30O4
Molecular Weight
346.4670
Inchikey
OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Inchi
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,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@@H]4C(=O)CO)C)O
Cas Id
Ob Score
Mol Logp
2.6667
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
1,7,8,10,11,12,13,14,15,17,-Decahydro-Decahydro-17-(2-Hydroxy-6-Methylheptan-2-Yl)-10,13-Dimethyl-2H-Cyclopenta［Α］Penanthrene-3(6H,9H,14H)-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1,7,8,10,11,12,13,14,15,17,-Decahydro-Decahydro-17-(2-Hydroxy-6-Methylheptan-2-Yl)-10,13-Dimethyl-2H-Cyclopenta［Α］Penanthrene-3(6H,9H,14H)-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,7,8,10,11,12,13,14,15,17,-decahydro-decahydro-17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2h-cyclopenta［α］penanthrene-3(6h,9h,14h)-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,7,8,10,11,12,13,14,15,17,-decahydro-decahydro-17-(2-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2h-cyclopenta［α］penanthrene-3(6h,9h,14h)-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Corticosterone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Corticosterone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Corticosterone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
corticosterone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
牛肾
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NIU SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ox Kidney
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(11beta)-11,21-Dihydroxypregn-4-ene-3,20-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(11beta)-11,21-Dihydroxypregn-4-ene-3,20-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-Hydroxycorticoaldosterone
Role
alias
Source
HERB_v2
Preferred
No
Name
11-Hydroxycorticoaldosterone
Role
alias
Source
itcmdb_public
Preferred
No
Name
11beta,21-Dihydroxyprogesterone
Role
alias
Source
HERB_v2
Preferred
No
Name
11beta,21-Dihydroxyprogesterone
Role
alias
Source
itcmdb_public
Preferred
No
Name
17-Deoxycortisol
Role
alias
Source
itcmdb_public
Preferred
No
Name
17-Deoxycortisol
Role
alias
Source
HERB_v2
Preferred
No
Name
50-22-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
50-22-6
Role
alias
Source
HERB_v2
Preferred
No
Name
CORTICOSTERONE
Role
alias
Source
HERB_v2
Preferred
No
Name
CORTICOSTERONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Corticosteron
Role
alias
Source
HERB_v2
Preferred
No
Name
Corticosteron
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kendall's compound B
Role
alias
Source
HERB_v2
Preferred
No
Name
Kendall's compound B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Reichstein's B
Role
alias
Source
HERB_v2
Preferred
No
Name
Reichstein's B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Reichstein's substance H
Role
alias
Source
HERB_v2
Preferred
No
Name
Reichstein's substance H
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

1,7,8,10,11,12,13,14,15,17,-Decahydro-Decahydro-17-(2-Hydroxy-6-Methylheptan-2-Yl)-10,13-Dimethyl-2H-Cyclopenta［Α］Penanthrene-3(6H,9H,14H)-One牛肾NIU SHENOx Kidney(11beta)-11,21-Dihydroxypregn-4-ene-3,20-dione11-Hydroxycorticoaldosterone11beta,21-Dihydroxyprogesterone17-Deoxycortisol50-22-6CorticosteronKendall's compound BReichstein's BReichstein's substance H

Cross References

Trusted external identifiers retained for this final record.

Hit
C1254
Herb
HBIN001977HBIN021531
Npass
NPC168027NPC185936
Tcmid
409642313
Sym Map
SMIT20148
Pub Chem
5753
Tcmbank
TCMBANKIN055507TCMBANKIN060076
Etcm Ingredient
Corticosterone
Itcmdb Generated
ITX-INGREDIENT-332B32FE4B8AITX-INGREDIENT-76FA04D8B0D2ITX-INGREDIENT-FD0F13722ADF

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
Mol Wt
346.4670000000001
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C(C([H])([H])O[H])=O)C([H])([H])C([H])([H])C2([H])[H])[C@]23[H])[C@@]3([H])C([H])([H]) C4([H])[H])C4=C([H])C1=OCC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O
Mol Log P
2.666700000000001
Version
v2
In Ch Ikey
OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Suppress
0
Tcm Name
牛肾
Tcm Name2
NIU SHEN
Mol2 Path
/TCM_database/2003_3d_all/1649.mol2
Reference
6
Num Hdonors
2
Tcm Name En
Ox Kidney
Drug Likeness
0.806
Num Hacceptors
4
Isomeric Smiles
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O
Canonical Smiles
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O
Herb Alias Names
CORTICOSTERONE50-22-617-DeoxycortisolReichstein's substance HKendall's compound BCorticosteron11beta,21-DihydroxyprogesteroneReichstein's B11-Hydroxycorticoaldosterone(11beta)-11,21-Dihydroxypregn-4-ene-3,20-dione
Molecular Weight
346.210
Molecular Weight
346.5 g/mol
Molecular Formula
C21H30O4
Molecular Formula
C21H30O4C22H32O4
Molecular Formula
C21H30O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.906
Quantitative Estimate Of Drug Likeness（Qed）
0.806