Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 12Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10724
- Core Entity Id
- 15081
- Source Entity Count
- 1
- Preferred Name
- Androgen
- Name En
- Pubchem Id
- 5995
- Smiles Canonical
- CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
- Molecular Formula
- C22H32O3
- Molecular Weight
- 344.4950
- Inchikey
- PDMMFKSKQVNJMI-BLQWBTBKSA-N
- Inchi
- InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1
- Isomeric Smiles
- CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.8401
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Androgen
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Androgen
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
androgen
Role
preferred
Source
TCMBank
Preferred
Yes
Name
57-85-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
57-85-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Agovirin
Role
alias
Source
HERB_v2
Preferred
No
Name
Agovirin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Androlon
Role
alias
Source
HERB_v2
Preferred
No
Name
Androlon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Androtest P
Role
alias
Source
HERB_v2
Preferred
No
Name
Androtest P
Role
alias
Source
itcmdb_public
Preferred
No
Name
Androteston
Role
alias
Source
itcmdb_public
Preferred
No
Name
Androteston
Role
alias
Source
HERB_v2
Preferred
No
Name
Aquaviron
Role
alias
Source
HERB_v2
Preferred
No
Name
Aquaviron
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bio-testiculina
Role
alias
Source
HERB_v2
Preferred
No
Name
Bio-testiculina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Enarmon
Role
alias
Source
HERB_v2
Preferred
No
Name
Enarmon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hormoteston
Role
alias
Source
HERB_v2
Preferred
No
Name
Hormoteston
Role
alias
Source
itcmdb_public
Preferred
No
Name
testosterone propionate
Role
alias
Source
HERB_v2
Preferred
No
Name
testosterone propionate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
57-85-2AgovirinAndrolonAndrotest PAndrotestonAquavironBio-testiculinaEnarmonHormotestontestosterone propionate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016005
Tcmid
23580
Pub Chem
59956432562
Tcmbank
TCMBANKIN030237
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1
Mol Wt
344.4950000000001
Smiles
CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Mol Log P
4.840100000000005
In Ch Ikey
PDMMFKSKQVNJMI-BLQWBTBKSA-N
Num Hdonors
0
Drug Likeness
0.673
Num Hacceptors
3
Isomeric Smiles
CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
Canonical Smiles
CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Herb Alias Names
testosterone propionate57-85-2AgovirinAndrolonAndrotestonAquavironHormotestonEnarmonBio-testiculinaAndrotest P
Molecular Weight
344.5 g/mol
Molecular Formula
C22H32O3
Molecular Formula
C22H32O3
Num Rotatable Bonds
2