Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33959
- Core Entity Id
- 40944
- Source Entity Count
- 1
- Preferred Name
- Steroids
- Name En
- Pubchem Id
- 139082353
- Smiles Canonical
- CC12CCCC1C3C(CC2)C4(CCCCC4CC3O)C
- Molecular Formula
- C26H44N2O
- Molecular Weight
- 400.6510
- Inchikey
- DNVZSDMHLPWULM-PFJMVCNFSA-N
- Inchi
- InChI=1S/C26H44N2O/c1-17(28(7)18(2)29)22-10-11-23-21-9-8-19-16-20(27(5)6)12-14-25(19,3)24(21)13-15-26(22,23)4/h8,17,20-24H,9-16H2,1-7H3/t17-,20+,21-,22+,23-,24-,25-,26+/m1/s1
- Isomeric Smiles
- C[C@H]([C@@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@H]2CC=C4[C@]3(CC[C@@H](C4)N(C)C)C)C)N(C)C(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.3624
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Steroids
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Steroids
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
steroids
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3alpha-Dimethylamino-20-(N-methylacetamido)pregn-5-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3alpha-Dimethylamino-20-(N-methylacetamido)pregn-5-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
Arnolds, Gear, Gym Candy, Juice, Pumpers, Roids, Stackers, Weight Gainers
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arnolds, Gear, Gym Candy, Juice, Pumpers, Roids, Stackers, Weight Gainers
Role
alias
Source
HERB_v2
Preferred
No
Name
Steroid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Steroid
Role
alias
Source
HERB_v2
Preferred
No
Name
Steroid Compound
Role
alias
Source
itcmdb_public
Preferred
No
Name
Steroid Compound
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3alpha-Dimethylamino-20-(N-methylacetamido)pregn-5-eneArnolds, Gear, Gym Candy, Juice, Pumpers, Roids, Stackers, Weight GainersSteroidSteroid Compound
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044824
Npass
NPC56854
Tcmid
33026
Pub Chem
139082353
Tcmbank
TCMBANKIN023830
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H44N2O/c1-17(28(7)18(2)29)22-10-11-23-21-9-8-19-16-20(27(5)6)12-14-25(19,3)24(21)13-15-26(22,23)4/h8,17,20-24H,9-16H2,1-7H3/t17-,20+,21-,22+,23-,24-,25-,26+/m1/s1
Mol Wt
400.6510000000002
Smiles
CC12CCCC1C3C(CC2)C4(CCCCC4CC3O)C
Mol Log P
5.362400000000006
In Ch Ikey
DNVZSDMHLPWULM-PFJMVCNFSA-N
Num Hdonors
0
Drug Likeness
0.595
Num Hacceptors
2
Isomeric Smiles
C[C@H]([C@@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@H]2CC=C4[C@]3(CC[C@@H](C4)N(C)C)C)C)N(C)C(=O)C
Canonical Smiles
CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)N(C)C)C)C)N(C)C(=O)C
Herb Alias Names
Steroid3alpha-Dimethylamino-20-(N-methylacetamido)pregn-5-eneSteroid CompoundArnolds, Gear, Gym Candy, Juice, Pumpers, Roids, Stackers, Weight Gainers
Molecular Formula
C19H32O
Molecular Formula
C26H44N2O
Num Rotatable Bonds
3