ITCMDBv1
IngredientID 32606

Saracodine

C26H46N2O

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
32606
Core Entity Id
39433
Source Entity Count
1
Preferred Name
Saracodine
Name En
Pubchem Id
12315307
Smiles Canonical
CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N(C)C)C)C)N(C)C(=O)C
Molecular Formula
C26H46N2O
Molecular Weight
402.6670
Inchikey
VPOYXIYUORUTSW-CVKOZZCDSA-N
Inchi
InChI=1S/C26H46N2O/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/h17,19-24H,8-16H2,1-7H3/t17-,19-,20+,21-,22+,23-,24-,25-,26+/m0/s1
Isomeric Smiles
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N(C)C)C)C)N(C)C(=O)C
Cas Id
Ob Score
Mol Logp
5.4423
Num H Donors
0
Num H Acceptors
2
Num Rotatable Bonds
3
Drug Likeness
0.6270
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Saracodine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Saracodine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Saracodine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
野山花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YE SHAN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Willowleaf Sarcococca
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
15437-92-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
15437-92-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CTK0I1597
Role
alias
Source
itcmdb_public
Preferred
No
Name
CTK0I1597
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40487452
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40487452
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-[(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-[(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-[(20S)-3alpha-Dimethylamino-5alpha-pregnan-20-yl]-N-methylacetamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-[(20S)-3alpha-Dimethylamino-5alpha-pregnan-20-yl]-N-methylacetamide
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

野山花YE SHAN HUAWillowleaf Sarcococca15437-92-0CTK0I1597DTXSID40487452N-[(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamideN-[(20S)-3alpha-Dimethylamino-5alpha-pregnan-20-yl]-N-methylacetamide

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN043141
Npass
NPC62037
Tcmid
19340
Pub Chem
12315307
Tcmbank
TCMBANKIN014747TCMBANKIN059303
Itcmdb Generated
ITX-INGREDIENT-6B4FC85E97AA

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C26H46N2O/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/h17,19-24H,8-16H2,1-7H3/t17-,19-,20+,21-,22+,23-,24-,25-,26+/m0/s1
Mol Wt
402.6670000000002
Smiles
CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N(C)C)C)C)N(C)C(=O)C
Mol Log P
5.442300000000006
In Ch Ikey
VPOYXIYUORUTSW-CVKOZZCDSA-N
Tcm Name
野山花
Tcm Name2
YE SHAN HUA
Mol2 Path
/TCM_database/2007_3d_all/19355.mol2
Reference
5054
Num Hdonors
0
Tcm Name En
Willowleaf Sarcococca
Drug Likeness
0.627
Num Hacceptors
2
Isomeric Smiles
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N(C)C)C)C)N(C)C(=O)C
Canonical Smiles
CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N(C)C)C)C)N(C)C(=O)C
Herb Alias Names
15437-92-0N-[(1S)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-methylacetamideCTK0I1597DTXSID40487452N-[(20S)-3alpha-Dimethylamino-5alpha-pregnan-20-yl]-N-methylacetamide
Molecular Weight
402.7 g/mol
Molecular Formula
C26H46N2O
Molecular Formula
C26H46N2O
Num Rotatable Bonds
3