Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8208
- Core Entity Id
- 12296
- Source Entity Count
- 1
- Preferred Name
- 7alpha-hydroxyconessine
- Name En
- Pubchem Id
- 5318176
- Smiles Canonical
- CC1CC2C3C(CCC24C1C(N(C4)C)C)C5(CCC(CC5=CC3O)C(C)C)C
- Molecular Formula
- C26H43NO
- Molecular Weight
- 385.6360
- Inchikey
- VRUXWSSLYPFJSF-USKGXQSWSA-N
- Inchi
- InChI=1S/C26H43NO/c1-15(2)18-7-9-25(5)19(12-18)13-22(28)23-20(25)8-10-26-14-27(6)17(4)24(26)16(3)11-21(23)26/h13,15-18,20-24,28H,7-12,14H2,1-6H3/t16?,17?,18-,20?,21?,22?,23?,24+,25-,26+/m0/s1
- Isomeric Smiles
- CC1CC2C3C(CC[C@]24[C@H]1C(N(C4)C)C)[C@]5(CC[C@@H](CC5=CC3O)C(C)C)C
- Cas Id
- Ob Score
- 12.7570
- Mol Logp
- 5.3684
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7Alpha-Hydroxyconessine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7alpha-Hydroxyconessine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7alpha-Hydroxyconessine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7alpha-hydroxyconessine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7alpha-hydroxyconessine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7alpha-hydroxyconessine
Role
alias
Source
TCMBank
Preferred
No
Name
7α-hydroxyconessine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7α-hydroxyconessine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013039
Npass
NPC186454
Tcmid
311719931
Tcmsp
MOL003439
Sym Map
SMIT01145
Pub Chem
5318176
Tcmbank
TCMBANKIN045713
Etcm Ingredient
7alpha-Hydroxyconessine
Itcmdb Generated
ITX-INGREDIENT-4563E702ED2E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C26H43NO/c1-15(2)18-7-9-25(5)19(12-18)13-22(28)23-20(25)8-10-26-14-27(6)17(4)24(26)16(3)11-21(23)26/h13,15-18,20-24,28H,7-12,14H2,1-6H3/t16?,17?,18-,20?,21?,22?,23?,24+,25-,26+/m0/s1
Mol Wt
385.6360000000001
Smiles
CC1CC2C3C(CCC24C1C(N(C4)C)C)C5(CCC(CC5=CC3O)C(C)C)C
Mol Log P
5.368400000000007
Version
v1,v2
In Ch Ikey
VRUXWSSLYPFJSF-USKGXQSWSA-N
Ob Score
12.75712.75733612.75733618
Suppress
0
Mol2 Path
/TCM_database/2003_3d_all/4014.mol2
Reference
6
Num Hdonors
1
Drug Likeness
0.614
Num Hacceptors
2
Isomeric Smiles
CC1CC2C3C(CC[C@]24[C@H]1C(N(C4)C)C)[C@]5(CC[C@@H](CC5=CC3O)C(C)C)C
Molecule Weight
385.7
Canonical Smiles
CC1CC2C3C(CCC24C1C(N(C4)C)C)C5(CCC(CC5=CC3O)C(C)C)C
Molecular Weight
385.330
Molecular Weight
385.7
Molecule Formula
C26H43NO
Molecular Formula
C26H43NO
Molecular Formula
C26H43NO
Molecular Formula
C26H43NO
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.872
Quantitative Estimate Of Drug Likeness（Qed）
0.614