Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25229
- Core Entity Id
- 31235
- Source Entity Count
- 1
- Preferred Name
- Lycophlegmine
- Name En
- Pubchem Id
- 5488730
- Smiles Canonical
- CC1CC2CC(=O)C3CCCN4C3(C1)C2=CC(C4)O
- Molecular Formula
- C16H23NO2
- Molecular Weight
- 261.3650
- Inchikey
- SRCDVLQWMPMBLH-OHHDELOUSA-N
- Inchi
- InChI=1S/C16H23NO2/c1-10-5-11-6-15(19)13-3-2-4-17-9-12(18)7-14(11)16(13,17)8-10/h7,10-13,18H,2-6,8-9H2,1H3/t10-,11+,12+,13-,16+/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)C2=C[C@@H](C4)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7570
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycophlegmine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycophlegmine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lycophlegmine
Role
preferred
Source
HERB_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,10S,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4S,10S,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,9-Ethanobenzo(i)quinolizin-14-one, 1,2,3,4,6,7,9,10,11,12-decahydro-7-hydroxy-11-methyl-, (1S,7S,9S,11R,12aS)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,9-Ethanobenzo(i)quinolizin-14-one, 1,2,3,4,6,7,9,10,11,12-decahydro-7-hydroxy-11-methyl-, (1S,7S,9S,11R,12aS)-
Role
alias
Source
HERB_v2
Preferred
No
Name
82841-97-2
Role
alias
Source
HERB_v2
Preferred
No
Name
82841-97-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040752802
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040752802
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID60154513
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID60154513
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60232022
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60232022
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
马尾杉MA WEI SHANSlender Phlegmariurus(1S,4S,10S,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one1,9-Ethanobenzo(i)quinolizin-14-one, 1,2,3,4,6,7,9,10,11,12-decahydro-7-hydroxy-11-methyl-, (1S,7S,9S,11R,12aS)-82841-97-2AKOS040752802DTXCID60154513DTXSID60232022
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033982
Tcmid
13214
Pub Chem
5488730
Tcmbank
TCMBANKIN046982
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H23NO2/c1-10-5-11-6-15(19)13-3-2-4-17-9-12(18)7-14(11)16(13,17)8-10/h7,10-13,18H,2-6,8-9H2,1H3/t10-,11+,12+,13-,16+/m1/s1
Mol Wt
261.365
Mol Log P
1.757
In Ch Ikey
SRCDVLQWMPMBLH-OHHDELOUSA-N
Tcm Name
马尾杉
Tcm Name2
MA WEI SHAN
Mol2 Path
/TCM_database/2007_3d_all/13221.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Slender Phlegmariurus
Drug Likeness
0.675
Num Hacceptors
3
Isomeric Smiles
C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)C2=C[C@@H](C4)O
Canonical Smiles
CC1CC2CC(=O)C3CCCN4C3(C1)C2=CC(C4)O
Herb Alias Names
82841-97-21,9-Ethanobenzo(i)quinolizin-14-one, 1,2,3,4,6,7,9,10,11,12-decahydro-7-hydroxy-11-methyl-, (1S,7S,9S,11R,12aS)-(1S,4S,10S,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-oneDTXSID60232022(1S,4S,10S,13S,15R)-4-hydroxy-15-methyl-6-azatetracyclo(8.6.0.01,6.02,13)hexadec-2-en-11-oneDTXCID60154513AKOS040752802
Molecular Weight
261.36 g/mol
Molecular Formula
C16H23NO2
Num Rotatable Bonds
0