Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34075
- Core Entity Id
- 41071
- Source Entity Count
- 1
- Preferred Name
- Streptomycin c
- Name En
- Pubchem Id
- 23267
- Smiles Canonical
- CNC1C(C(C(OC1OC2C(OC(C2(C=O)O)CO)OC3C(C(C(C(C3O)O)N=C(N)N)O)N=C(N)N)CO)O)O
- Molecular Formula
- C21H39N7O13
- Molecular Weight
- 597.5790
- Inchikey
- OFNXOACBUMGOPC-HZYVHMACSA-N
- Inchi
- InChI=1S/C21H39N7O13/c1-26-9-13(35)10(32)5(2-29)38-17(9)41-16-18(39-6(3-30)21(16,37)4-31)40-15-8(28-20(24)25)11(33)7(27-19(22)23)12(34)14(15)36/h4-18,26,29-30,32-37H,2-3H2,1H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
- Isomeric Smiles
- CN[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O[C@H]2[C@@H](O[C@H]([C@@]2(C=O)O)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H]([C@H]3O)O)N=C(N)N)O)N=C(N)N)CO)O)O
- Cas Id
- 1407-59-6
- Ob Score
- 14.5415
- Mol Logp
- -9.1887
- Num H Donors
- 13
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.0630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Streptomycin C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Streptomycin C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Streptomycin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Streptomycin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Streptomycin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Streptomycin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,1'-((1R,2R,3S,4R,5R,6S)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-formyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1'-((1R,2R,3S,4R,5R,6S)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-formyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1'-[(1R,2R,3S,4R,5R,6S)-4-({2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1'-[(1R,2R,3S,4R,5R,6S)-4-({2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1407-59-6
Role
alias
Source
TCMBank
Preferred
No
Name
2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-3-methylamino-6-methylol-tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine
Role
alias
Source
TCMBank
Preferred
No
Name
2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine
Role
alias
Source
TCMBank
Preferred
No
Name
2-[(1S,2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-2-tetrahydropyranyl]oxy]-4-formyl-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-5-guanidino-3,4,6-trihydroxycyclohexyl]guanidine
Role
alias
Source
TCMBank
Preferred
No
Name
2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-oxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-4-methanoyl-oxolan-2-yl]oxy-3,4,6-trihydroxy-cyclohexyl]guanidine
Role
alias
Source
TCMBank
Preferred
No
Name
2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine
Role
alias
Source
TCMBank
Preferred
No
Name
24864-05-9
Role
alias
Source
TCMBank
Preferred
No
Name
5'-Hydroxystreptomycin
Role
alias
Source
HERB_v2
Preferred
No
Name
5'-Hydroxystreptomycin
Role
alias
Source
itcmdb_public
Preferred
No
Name
6835-00-3
Role
alias
Source
HERB_v2
Preferred
No
Name
6835-00-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
6835-00-3
Role
alias
Source
TCMBank
Preferred
No
Name
D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-diamidino-
Role
alias
Source
TCMBank
Preferred
No
Name
Hydroxystreptomycin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxystreptomycin
Role
alias
Source
HERB_v2
Preferred
No
Name
Hydroxystreptomycin
Role
alias
Source
TCMBank
Preferred
No
Name
QXR888I04O
Role
alias
Source
itcmdb_public
Preferred
No
Name
QXR888I04O
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL35700
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL35700
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-QXR888I04O
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-QXR888I04O
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,1'-((1R,2R,3S,4R,5R,6S)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-formyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine1,1'-[(1R,2R,3S,4R,5R,6S)-4-({2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine1407-59-62-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-3-methylamino-6-methylol-tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine2-[(1S,2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-2-tetrahydropyranyl]oxy]-4-formyl-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-5-guanidino-3,4,6-trihydroxycyclohexyl]guanidine2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylamino-oxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-4-methanoyl-oxolan-2-yl]oxy-3,4,6-trihydroxy-cyclohexyl]guanidine2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine24864-05-95'-Hydroxystreptomycin6835-00-3D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-diamidino-HydroxystreptomycinQXR888I04OSCHEMBL35700UNII-QXR888I04O
Cross References
Trusted external identifiers retained for this final record.
Cas
1407-59-6
Herb
HBIN044973
Tcmsp
MOL004212
Sym Map
SMIT06173
Pub Chem
23267
Tcmbank
TCMBANKIN024827
Etcm Ingredient
Streptomycin C
Itcmdb Generated
ITX-INGREDIENT-B8DDD02DB05D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H39N7O13/c1-26-9-13(35)10(32)5(2-29)38-17(9)41-16-18(39-6(3-30)21(16,37)4-31)40-15-8(28-20(24)25)11(33)7(27-19(22)23)12(34)14(15)36/h4-18,26,29-30,32-37H,2-3H2,1H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
Mol Wt
597.5790000000001
Cas Id
1407-59-6
Smiles
CNC1C(C(C(OC1OC2C(OC(C2(C=O)O)CO)OC3C(C(C(C(C3O)O)N=C(N)N)O)N=C(N)N)CO)O)O
Mol Log P
-9.188700000000013
Version
v1,v2
In Ch Ikey
OFNXOACBUMGOPC-HZYVHMACSA-N
Ob Score
14.5415265314.54152714.542
Suppress
0
Num Hdonors
13
Drug Likeness
0.063
Num Hacceptors
16
Isomeric Smiles
CN[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1O[C@H]2[C@@H](O[C@H]([C@@]2(C=O)O)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H]([C@H]3O)O)N=C(N)N)O)N=C(N)N)CO)O)O
Molecule Weight
597.67
Canonical Smiles
CNC1C(C(C(OC1OC2C(OC(C2(C=O)O)CO)OC3C(C(C(C(C3O)O)N=C(N)N)O)N=C(N)N)CO)O)O
Herb Alias Names
Hydroxystreptomycin6835-00-35'-HydroxystreptomycinQXR888I04O2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine1,1'-((1R,2R,3S,4R,5R,6S)-4-(((2R,3R,4R,5S)-3-(((2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-4-formyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine1,1'-[(1R,2R,3S,4R,5R,6S)-4-({2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidineUNII-QXR888I04OSCHEMBL35700
Molecular Weight
597.260
Molecular Weight
597.57
Molecular Formula
C21H39N7O13
Molecular Formula
C21H39N7O13
Molecular Formula
C21H39N7O13
Num Rotatable Bonds
10
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.063