Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Meta-analysis: 12Target: 4Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36622
- Core Entity Id
- 43901
- Source Entity Count
- 1
- Preferred Name
- Volon
- Name En
- Pubchem Id
- 31307
- Smiles Canonical
- CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O
- Molecular Formula
- C21H27FO6
- Molecular Weight
- 394.4390
- Inchikey
- GFNANZIMVAIWHM-OBYCQNJPSA-N
- Inchi
- InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
- Isomeric Smiles
- C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O
- Cas Id
- 83474-03-7
- Ob Score
- 35.4226
- Mol Logp
- 0.6205
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Volon
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Volon
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Volon
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Volon
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Volon
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Volon
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-17-glycoloyl-11,16,17-trihydroxy-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
11.beta.,16.alpha.,17.alpha.,21-Tetrahydroxy-9.alpha.-fluoro-1,4-pregnadiene-3,20-dione
Role
alias
Source
TCMBank
Preferred
No
Name
124-94-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
124-94-7
Role
alias
Source
HERB_v2
Preferred
No
Name
124-94-7
Role
alias
Source
TCMBank
Preferred
No
Name
287334_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
4-08-00-03629 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
83474-03-7
Role
alias
Source
TCMBank
Preferred
No
Name
9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
Role
alias
Source
TCMBank
Preferred
No
Name
9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
Role
alias
Source
TCMBank
Preferred
No
Name
9.Alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-1, 4-pregnadiene-3,20-dione
Role
alias
Source
TCMBank
Preferred
No
Name
9.Alpha.-Fluoro-11.beta.,16.alpha.,17.alpha., 21-tetrahydroxypregna-1,4-diene-3,20-dione
Role
alias
Source
TCMBank
Preferred
No
Name
9.alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
Role
alias
Source
TCMBank
Preferred
No
Name
9alpha-Fluoro-16alpha-hydroxyprednisolone
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-124117
Role
alias
Source
TCMBank
Preferred
No
Name
Adcortyl
Role
alias
Source
TCMBank
Preferred
No
Name
Aristocort
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristocort
Role
alias
Source
TCMBank
Preferred
No
Name
Aristocort
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristocort Tablets
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_000154
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 2341955
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_000140
Role
alias
Source
TCMBank
Preferred
No
Name
CL 19823
Role
alias
Source
TCMBank
Preferred
No
Name
Celeste
Role
alias
Source
TCMBank
Preferred
No
Name
Cinolone-T
Role
alias
Source
TCMBank
Preferred
No
Name
D00385
Role
alias
Source
TCMBank
Preferred
No
Name
Delphicort
Role
alias
Source
itcmdb_public
Preferred
No
Name
Delphicort
Role
alias
Source
HERB_v2
Preferred
No
Name
Delphicort
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 204-718-7
Role
alias
Source
TCMBank
Preferred
No
Name
EU-0101179
Role
alias
Source
TCMBank
Preferred
No
Name
Fluoxyprednisolone
Role
alias
Source
HERB_v2
Preferred
No
Name
Fluoxyprednisolone
Role
alias
Source
TCMBank
Preferred
No
Name
Fluoxyprednisolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
HSDB 3194
Role
alias
Source
TCMBank
Preferred
No
Name
Kenacort
Role
alias
Source
HERB_v2
Preferred
No
Name
Kenacort
Role
alias
Source
TCMBank
Preferred
No
Name
Kenacort
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kenacort (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Kenacort-A
Role
alias
Source
TCMBank
Preferred
No
Name
Kenacort-AG
Role
alias
Source
TCMBank
Preferred
No
Name
Ledercort
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ledercort
Role
alias
Source
TCMBank
Preferred
No
Name
Ledercort
Role
alias
Source
HERB_v2
Preferred
No
Name
Lopac0_001179
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000028542
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001066543
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00021580-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_000750
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 13397
Role
alias
Source
TCMBank
Preferred
No
Name
Omcilon
Role
alias
Source
TCMBank
Preferred
No
Name
Prednisolone, 9-fluoro-16alpha-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-
Role
alias
Source
TCMBank
Preferred
No
Name
Pregna-1,4-diene-3,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick0_000120
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick1_000120
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick2_000120
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick3_000120
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick_438
Role
alias
Source
TCMBank
Preferred
No
Name
Rodinolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rodinolone
Role
alias
Source
TCMBank
Preferred
No
Name
Rodinolone
Role
alias
Source
HERB_v2
Preferred
No
Name
SK-Triamcinolone
Role
alias
Source
TCMBank
Preferred
No
Name
SMP1_000300
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000058333
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_002079
Role
alias
Source
TCMBank
Preferred
No
Name
STOCK1N-56723
Role
alias
Source
TCMBank
Preferred
No
Name
T6376_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Tiamcinolonum [INN-Latin]
Role
alias
Source
TCMBank
Preferred
No
Name
Triam-Tablinen
Role
alias
Source
TCMBank
Preferred
No
Name
Triamcet
Role
alias
Source
TCMBank
Preferred
No
Name
Triamcinalone
Role
alias
Source
TCMBank
Preferred
No
Name
Triamcinlon
Role
alias
Source
TCMBank
Preferred
No
Name
Triamcinolon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Triamcinolon
Role
alias
Source
TCMBank
Preferred
No
Name
Triamcinolon
Role
alias
Source
HERB_v2
Preferred
No
Name
Triamcinolona [INN-Spanish]
Role
alias
Source
TCMBank
Preferred
No
Name
Triamcinolone
Role
alias
Source
TCMBank
Preferred
No
Name
Triamcinolone (JP15/USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Triamcinolone [USAN:BAN:INN:JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Triamcinolonum [INN]
Role
alias
Source
TCMBank
Preferred
No
Name
Tricortale
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tricortale
Role
alias
Source
TCMBank
Preferred
No
Name
Tricortale
Role
alias
Source
HERB_v2
Preferred
No
Name
Vetalog
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: L E5 B666 OV KU MUTJ A1 BF CQ E1 FV1Q FQ GQ
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC03882036
Role
alias
Source
TCMBank
Preferred
No
Name
nchembio.2007.53-comp7
Role
alias
Source
TCMBank
Preferred
No
Name
triamcinolone
Role
alias
Source
HERB_v2
Preferred
No
Name
triamcinolone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-17-glycoloyl-11,16,17-trihydroxy-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one11.beta.,16.alpha.,17.alpha.,21-Tetrahydroxy-9.alpha.-fluoro-1,4-pregnadiene-3,20-dione124-94-7287334_ALDRICH4-08-00-03629 (Beilstein Handbook Reference)83474-03-79-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione9.Alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-1, 4-pregnadiene-3,20-dione9.Alpha.-Fluoro-11.beta.,16.alpha.,17.alpha., 21-tetrahydroxypregna-1,4-diene-3,20-dione9.alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione9alpha-Fluoro-16alpha-hydroxyprednisoloneAIDS-124117AdcortylAristocortAristocort TabletsBPBio1_000154BRN 2341955BSPBio_000140CL 19823CelesteCinolone-TD00385DelphicortEINECS 204-718-7EU-0101179FluoxyprednisoloneHSDB 3194KenacortKenacort (TN)Kenacort-AKenacort-AGLedercortLopac0_001179MLS000028542MLS001066543NCGC00021580-05NCI60_000750NSC 13397OmcilonPrednisolone, 9-fluoro-16alpha-hydroxy-Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11.beta.,16.alpha.)-Pregna-1,4-diene-3,20-dione, 9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,16alpha,17,21-tetrahydroxy- (8CI)Prestwick0_000120Prestwick1_000120Prestwick2_000120Prestwick3_000120Prestwick_438RodinoloneSK-TriamcinoloneSMP1_000300SMR000058333SPBio_002079STOCK1N-56723T6376_SIGMATiamcinolonum [INN-Latin]Triam-TablinenTriamcetTriamcinaloneTriamcinlonTriamcinolonTriamcinolona [INN-Spanish]TriamcinoloneTriamcinolone (JP15/USP)Triamcinolone [USAN:BAN:INN:JAN]Triamcinolonum [INN]TricortaleVetalogWLN: L E5 B666 OV KU MUTJ A1 BF CQ E1 FV1Q FQ GQZINC03882036nchembio.2007.53-comp7
Cross References
Trusted external identifiers retained for this final record.
Cas
83474-03-7
Herb
HBIN048161
Tcmsp
MOL006859
Sym Map
SMIT08404
Pub Chem
31307
Tcmbank
TCMBANKIN011072
Drug Bank
DB00620
Etcm Ingredient
Volon
Itcmdb Generated
ITX-INGREDIENT-6B3E7F988D9B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1
Mol Wt
394.4390000000001
Cas Id
83474-03-7
Smiles
CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O
Mol Log P
0.6205000000000003
Version
v1,v2
In Ch Ikey
GFNANZIMVAIWHM-OBYCQNJPSA-N
Ob Score
35.4225645235.42256535.423
Suppress
0
Num Hdonors
4
Drug Likeness
0.546
Num Hacceptors
6
Isomeric Smiles
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O
Molecule Weight
394.48
Canonical Smiles
CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O
Herb Alias Names
triamcinolone124-94-7FluoxyprednisoloneAristocortTriamcinolonKenacortRodinoloneDelphicortLedercortTricortale
Molecular Weight
394.180
Molecular Weight
394.43
Molecular Formula
C21H27FO6
Molecular Formula
C21H27FO6
Molecular Formula
C21H27FO6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.923
Quantitative Estimate Of Drug Likeness（Qed）
0.546