Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 11Herb: 2Ingredient: 1Meta-analysis: 1Target: 12Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10040
- Core Entity Id
- 14326
- Source Entity Count
- 1
- Preferred Name
- Aldosterone
- Name En
- Pubchem Id
- 5839
- Smiles Canonical
- CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O
- Molecular Formula
- C21H28O5
- Molecular Weight
- 360.4500
- Inchikey
- PQSUYGKTWSAVDQ-ZVIOFETBSA-N
- Inchi
- InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/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)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8457
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aldosterone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Aldosterone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
aldosterone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
aldosterone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-Aldosterone
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Aldosterone
Role
alias
Source
itcmdb_public
Preferred
No
Name
52-39-1
Role
alias
Source
HERB_v2
Preferred
No
Name
52-39-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aldocorten
Role
alias
Source
HERB_v2
Preferred
No
Name
Aldocorten
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aldocortene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aldocortene
Role
alias
Source
HERB_v2
Preferred
No
Name
Aldocortin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aldocortin
Role
alias
Source
HERB_v2
Preferred
No
Name
Electrocortin
Role
alias
Source
HERB_v2
Preferred
No
Name
Electrocortin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Elektrocortin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Elektrocortin
Role
alias
Source
HERB_v2
Preferred
No
Name
Reichstein X
Role
alias
Source
HERB_v2
Preferred
No
Name
Reichstein X
Role
alias
Source
itcmdb_public
Preferred
No
Name
d-Aldosterone
Role
alias
Source
HERB_v2
Preferred
No
Name
d-Aldosterone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Aldosterone52-39-1AldocortenAldocorteneAldocortinElectrocortinElektrocortinReichstein Xd-Aldosterone
Cross References
Trusted external identifiers retained for this final record.
Hit
C0868
Herb
HBIN015105
Npass
NPC192428
Tcmid
880
Tcm Id
7046
Pub Chem
5839
Tcmbank
TCMBANKIN010402
Etcm Ingredient
aldosterone
Itcmdb Generated
ITX-INGREDIENT-A3E98C619CF0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
Mol Wt
360.4500000000001
Smiles
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O
Mol Log P
1.845699999999999
In Ch Ikey
PQSUYGKTWSAVDQ-ZVIOFETBSA-N
Num Hdonors
2
Drug Likeness
0.75
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@@H]4C(=O)CO)C=O)O
Canonical Smiles
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O
Herb Alias Names
52-39-1ElectrocortinAldocortinAldocortenAldocortene(+)-AldosteroneReichstein XElektrocortind-Aldosterone
Molecular Weight
360.190
Molecular Weight
360.4 g/mol
Molecular Formula
C21H28O5
Molecular Formula
C21H28O5
Molecular Formula
C21H28O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.890
Quantitative Estimate Of Drug Likeness（Qed）
0.750