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
- 16614
- Core Entity Id
- 21636
- Source Entity Count
- 1
- Preferred Name
- Deltatsine
- Name En
- Pubchem Id
- 134715261
- Smiles Canonical
- CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)OC)O)OC)O)COC
- Molecular Formula
- C25H41NO7
- Molecular Weight
- 467.6030
- Inchikey
- ZUMVRGDGUZROMJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3
- Isomeric Smiles
- CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)OC)O)OC)O)COC
- Cas Id
- Ob Score
- Mol Logp
- 0.2710
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.5120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Deltatsine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Deltatsine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Deltatsine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Deltatsine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
峨嵋翠雀花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
E MEI CUI QUE HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Emei Larkspur
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,9,16-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
20-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,14-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
20-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,14-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
92631-66-8
Role
alias
Source
HERB_v2
Preferred
No
Name
92631-66-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aconitane-1,7,14-triol, 20-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)-,(1alpha,6beta,14alpha,16beta)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aconitane-1,7,14-triol, 20-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)-,(1alpha,6beta,14alpha,16beta)-
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70919039
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70919039
Role
alias
Source
HERB_v2
Preferred
No
Name
Deletatsine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Deletatsine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
峨嵋翠雀花E MEI CUI QUE HUAEmei Larkspur11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,9,16-triol11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triol20-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,14-triol92631-66-8Aconitane-1,7,14-triol, 20-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)-,(1alpha,6beta,14alpha,16beta)-DTXSID70919039Deletatsine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023214
Tcmid
5037
Pub Chem
134715261185185
Tcmbank
TCMBANKIN037953
Etcm Ingredient
Deltatsine
Itcmdb Generated
ITX-INGREDIENT-47C1771BE07A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(33-5,17(14)18(13)28)25(29,21(24)26)20(32-4)19(22)24/h13-21,27-29H,6-12H2,1-5H3
Mol Wt
467.6030000000002
Mol Log P
0.271000000000002
In Ch Ikey
ZUMVRGDGUZROMJ-UHFFFAOYSA-N
Tcm Name
峨嵋翠雀花
Tcm Name2
E MEI CUI QUE HUA
Mol2 Path
/TCM_database/2007_3d_all/05038.mol2
Reference
1521, 2190
Num Hdonors
3
Tcm Name En
Emei Larkspur
Drug Likeness
0.512
Num Hacceptors
8
Isomeric Smiles
CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)OC)O)OC)O)COC
Canonical Smiles
CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6O)OC)OC)O)OC)O)COC
Herb Alias Names
92631-66-811-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triolAconitane-1,7,14-triol, 20-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)-,(1alpha,6beta,14alpha,16beta)-Deletatsine11-ethyl-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,9,16-triolDTXSID7091903920-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,14-triol
Molecular Weight
467.290
Molecular Weight
467.6 g/mol
Molecular Formula
C25H41NO7
Molecular Formula
C25H41NO7
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.045
Quantitative Estimate Of Drug Likeness（Qed）
0.512