Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33137
- Core Entity Id
- 40026
- Source Entity Count
- 1
- Preferred Name
- Serratanidine
- Name En
- Pubchem Id
- 442499
- Smiles Canonical
- CC1(CC(C23CCCN4C2(CCC4)C(=O)CC3C1O)O)O
- Molecular Formula
- C16H25NO4
- Molecular Weight
- 295.3790
- Inchikey
- YCOAYVRPLHVBDP-YSHXYTTRSA-N
- Inchi
- InChI=1S/C16H25NO4/c1-14(21)9-12(19)15-4-2-6-17-7-3-5-16(15,17)11(18)8-10(15)13(14)20/h10,12-13,19-21H,2-9H2,1H3/t10-,12+,13-,14-,15-,16+/m1/s1
- Isomeric Smiles
- C[C@]1(C[C@@H]([C@]23CCCN4[C@@]2(CCC4)C(=O)C[C@@H]3[C@H]1O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.0667
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Serratanidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Serratanidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Serratanidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
serratanidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1R,4S,5R,6R,8S,9S)-5,6,8-trihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,4S,5R,6R,8S,9S)-5,6,8-trihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
19637-58-2
Role
alias
Source
HERB_v2
Preferred
No
Name
19637-58-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
C09899
Role
alias
Source
HERB_v2
Preferred
No
Name
C09899
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:9120
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9120
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60331847
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60331847
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27108279
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27108279
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R,4S,5R,6R,8S,9S)-5,6,8-trihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one19637-58-2C09899CHEBI:9120DTXSID60331847Q27108279
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043786
Tcmid
19751
Pub Chem
442499
Tcmbank
TCMBANKIN027009
Etcm Ingredient
Serratanidine
Itcmdb Generated
ITX-INGREDIENT-521DB68FD26D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H25NO4/c1-14(21)9-12(19)15-4-2-6-17-7-3-5-16(15,17)11(18)8-10(15)13(14)20/h10,12-13,19-21H,2-9H2,1H3/t10-,12+,13-,14-,15-,16+/m1/s1
Mol Wt
295.379
Smiles
CC1(CC(C23CCCN4C2(CCC4)C(=O)CC3C1O)O)O
Mol Log P
0.06670000000000009
In Ch Ikey
YCOAYVRPLHVBDP-YSHXYTTRSA-N
Num Hdonors
3
Drug Likeness
0.589
Num Hacceptors
5
Isomeric Smiles
C[C@]1(C[C@@H]([C@]23CCCN4[C@@]2(CCC4)C(=O)C[C@@H]3[C@H]1O)O)O
Canonical Smiles
CC1(CC(C23CCCN4C2(CCC4)C(=O)CC3C1O)O)O
Herb Alias Names
19637-58-2(1R,4S,5R,6R,8S,9S)-5,6,8-trihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-oneC09899CHEBI:9120DTXSID60331847Q27108279
Molecular Weight
295.180
Molecular Weight
295.37 g/mol
Molecular Formula
C16H25NO4
Molecular Formula
C16H25NO4
Molecular Formula
C16H25NO4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.862
Quantitative Estimate Of Drug Likeness（Qed）
0.589