Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10743
- Core Entity Id
- 15103
- Source Entity Count
- 1
- Preferred Name
- Androst-4-ene-3,17-dione
- Name En
- Pubchem Id
- 6128
- Smiles Canonical
- CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
- Molecular Formula
- C19H26O2
- Molecular Weight
- 286.4150
- Inchikey
- AEMFNILZOJDQLW-QAGGRKNESA-N
- Inchi
- InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
- Isomeric Smiles
- C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0874
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Androst-4-Ene-3,17-Dione
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Androst-4-ene-3,17-dione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Androst-4-ene-3,17-dione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
androst-4-ene-3,17-dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,17-Dioxoandrost-4-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,17-Dioxoandrost-4-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Androstene-3,17-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Androstene-3,17-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Androstenedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Androstenedione
Role
alias
Source
HERB_v2
Preferred
No
Name
63-05-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
63-05-8
Role
alias
Source
HERB_v2
Preferred
No
Name
Androstendione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Androstendione
Role
alias
Source
HERB_v2
Preferred
No
Name
Androtex
Role
alias
Source
itcmdb_public
Preferred
No
Name
Androtex
Role
alias
Source
HERB_v2
Preferred
No
Name
SKF 2170
Role
alias
Source
itcmdb_public
Preferred
No
Name
SKF 2170
Role
alias
Source
HERB_v2
Preferred
No
Name
androstenedione
Role
alias
Source
HERB_v2
Preferred
No
Name
androstenedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
delta-4-Androstenedione
Role
alias
Source
HERB_v2
Preferred
No
Name
delta-4-Androstenedione
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,17-Dioxoandrost-4-ene4-Androstene-3,17-dione4-Androstenedione63-05-8AndrostendioneAndrotexSKF 2170androstenedionedelta-4-Androstenedione
Cross References
Trusted external identifiers retained for this final record.
Hit
C0901
Herb
HBIN016031
Npass
NPC139397
Tcmid
1169
Sym Map
SMIT22332
Pub Chem
6128
Tcmbank
TCMBANKIN030283
Drug Bank
DB01536
Itcmdb Generated
ITX-INGREDIENT-0F59B855BC84
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
Mol Wt
286.415
Smiles
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
Mol Log P
4.087400000000003
Version
v2
In Ch Ikey
AEMFNILZOJDQLW-QAGGRKNESA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.672
Num Hacceptors
2
Isomeric Smiles
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
Canonical Smiles
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
Herb Alias Names
androstenedione4-Androstene-3,17-dione63-05-84-AndrostenedioneAndrotex3,17-Dioxoandrost-4-enedelta-4-AndrostenedioneSKF 2170Androstendione
Molecular Weight
286.4 g/mol
Molecular Formula
C19H26O2
Molecular Formula
C19H26O2
Num Rotatable Bonds
0