Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19338
- Core Entity Id
- 24675
- Source Entity Count
- 1
- Preferred Name
- Foresticine
- Name En
- Pubchem Id
- 185130
- Smiles Canonical
- CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6O)O)OC)O)O)OC)COC
- Molecular Formula
- C24H39NO7
- Molecular Weight
- 453.5760
- Inchikey
- DUPNDNNJUMHNTR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-13(31-3)24-12-8-22(28)14(32-4)9-23(29,15(12)20(22)27)16(19(24)25)17(26)18(21)24/h12-20,26-29H,5-11H2,1-4H3
- Isomeric Smiles
- CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6O)O)OC)O)O)OC)COC
- Cas Id
- Ob Score
- Mol Logp
- -0.3831
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Foresticine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Foresticine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Foresticine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
foresticine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,5,8,18-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8,18-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
20-Ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-6,8,13,14-tetrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
20-Ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-6,8,13,14-tetrol
Role
alias
Source
HERB_v2
Preferred
No
Name
91794-15-9
Role
alias
Source
HERB_v2
Preferred
No
Name
91794-15-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10919518
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10919518
Role
alias
Source
itcmdb_public
Preferred
No
Name
Forsticine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Forsticine
Role
alias
Source
HERB_v2
Preferred
No
Name
Longtouconitine B
Role
alias
Source
HERB_v2
Preferred
No
Name
Longtouconitine B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Senbusine a; o1-me
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
senbusine a; o1-me
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,5,8,18-tetrol11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8,18-tetrol20-Ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-6,8,13,14-tetrol91794-15-9DTXSID10919518ForsticineLongtouconitine BSenbusine a; o1-me
Cross References
Trusted external identifiers retained for this final record.
Cas
91794-15-9
Herb
HBIN026657HBIN043685
Npass
NPC51502
Tcmid
7879
Tcm Id
1039
Pub Chem
185130
Tcmbank
TCMBANKIN042762TCMBANKIN031147
Etcm Ingredient
Foresticine
Itcmdb Generated
ITX-INGREDIENT-86AD76CE03F0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-13(31-3)24-12-8-22(28)14(32-4)9-23(29,15(12)20(22)27)16(19(24)25)17(26)18(21)24/h12-20,26-29H,5-11H2,1-4H3
Mol Wt
453.5760000000002
Smiles
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6O)O)OC)O)O)OC)COC
Mol Log P
-0.3830999999999976
In Ch Ikey
DUPNDNNJUMHNTR-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/07880.mol2
Reference
1521
Num Hdonors
4
Drug Likeness
0.446
Num Hacceptors
8
Isomeric Smiles
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6O)O)OC)O)O)OC)COC
Canonical Smiles
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6(CC4C5C6O)O)OC)O)O)OC)COC
Herb Alias Names
ForsticineLongtouconitine B91794-15-911-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,8,18-tetrol11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,5,8,18-tetrolDTXSID1091951820-Ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-6,8,13,14-tetrol
Molecular Weight
437.280
Molecular Weight
437.57
Molecular Formula
C24H39NO6
Molecular Formula
C24H39NO7
Molecular Formula
C24H39NO7
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.255
Quantitative Estimate Of Drug Likeness（Qed）
0.577