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
- 25194
- Core Entity Id
- 31196
- Source Entity Count
- 1
- Preferred Name
- Lycoflexine
- Name En
- Pubchem Id
- 442486
- Smiles Canonical
- CC1CC2CC(=O)C34C2(CCCN(C3)CCC4)C(=O)C1
- Molecular Formula
- C17H25NO2
- Molecular Weight
- 275.3920
- Inchikey
- SJIMDGIDDDGXLI-OSRSDYAFSA-N
- Inchi
- InChI=1S/C17H25NO2/c1-12-8-13-10-14(19)16-4-2-6-18(11-16)7-3-5-17(13,16)15(20)9-12/h12-13H,2-11H2,1H3/t12-,13+,16+,17-/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@H]2CC(=O)[C@@]34[C@@]2(CCCN(C3)CCC4)C(=O)C1
- Cas Id
- Ob Score
- Mol Logp
- 2.4368
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycoflexine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Lycoflexine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lycoflexine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycoflexine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lycoflexine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
lycoflexine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
马尾杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MA WEI SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Slender Phlegmariurus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1S,4S,6R,9S)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4S,6R,9S)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
52485-00-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
52485-00-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9CXB
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9CXB
Role
alias
Source
HERB_v2
Preferred
No
Name
C09879
Role
alias
Source
itcmdb_public
Preferred
No
Name
C09879
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6593
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6593
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20331843
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20331843
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27107258
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27107258
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
马尾杉MA WEI SHANSlender Phlegmariurus(1S,4S,6R,9S)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione52485-00-4AC1L9CXBC09879CHEBI:6593DTXSID20331843Q27107258
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033942
Npass
NPC71446
Tcmid
13186
Sym Map
SMIT25165
Pub Chem
442486
Tcmbank
TCMBANKIN050480
Etcm Ingredient
lycoflexine
Itcmdb Generated
ITX-INGREDIENT-0CFCAAA5038EITX-INGREDIENT-1492E7EF9F2A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H25NO2/c1-12-8-13-10-14(19)16-4-2-6-18(11-16)7-3-5-17(13,16)15(20)9-12/h12-13H,2-11H2,1H3/t12-,13+,16+,17-/m1/s1
Mol Wt
275.3919999999999
Mol Log P
2.436800000000001
Version
v2
In Ch Ikey
SJIMDGIDDDGXLI-OSRSDYAFSA-N
Suppress
0
Tcm Name
马尾杉
Tcm Name2
MA WEI SHAN
Mol2 Path
/TCM_database/2007_3d_all/13193.mol2
Reference
660
Num Hdonors
0
Tcm Name En
Slender Phlegmariurus
Drug Likeness
0.681
Num Hacceptors
3
Isomeric Smiles
C[C@@H]1C[C@H]2CC(=O)[C@@]34[C@@]2(CCCN(C3)CCC4)C(=O)C1
Canonical Smiles
CC1CC2CC(=O)C34C2(CCCN(C3)CCC4)C(=O)C1
Herb Alias Names
52485-00-4C09879(1S,4S,6R,9S)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dioneAC1L9CXBCHEBI:6593DTXSID20331843Q27107258
Molecular Weight
275.190
Molecular Weight
275.4 g/mol
Molecular Formula
C17H25NO2
Molecular Formula
C17H25NO2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.881
Quantitative Estimate Of Drug Likeness（Qed）
0.681