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
- 10893
- Core Entity Id
- 15271
- Source Entity Count
- 1
- Preferred Name
- Annofoline
- Name En
- Pubchem Id
- 5462440
- Smiles Canonical
- CC1CC23C4CCCN2CCCC3C(CC4C1=O)O
- Molecular Formula
- C16H25NO2
- Molecular Weight
- 263.3810
- Inchikey
- KYIYXWHVYGBAKF-NVWMEEMDSA-N
- Inchi
- InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11+,12-,13-,14-,16-/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H](C[C@@H]4C1=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8369
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Annofoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Annofoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Annofoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
单穗石松
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DAN SUI SHI SONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Interrupted Clubmoss
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(15R)-5beta-Hydroxy-15-methyllycopodan-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(15R)-5beta-Hydroxy-15-methyllycopodan-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,2R,10S,11R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,2R,10S,11R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-one
Role
alias
Source
HERB_v2
Preferred
No
Name
664-23-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
664-23-3
Role
alias
Source
HERB_v2
Preferred
No
Name
C09851
Role
alias
Source
HERB_v2
Preferred
No
Name
C09851
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:2741
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:2741
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27105797
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27105797
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
单穗石松DAN SUI SHI SONGInterrupted Clubmoss(15R)-5beta-Hydroxy-15-methyllycopodan-8-one(1R,2R,10S,11R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-one664-23-3C09851CHEBI:2741Q27105797
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016210
Npass
NPC194450
Tcmid
1300
Pub Chem
5462440
Tcmbank
TCMBANKIN040612
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11+,12-,13-,14-,16-/m1/s1
Mol Wt
263.381
Mol Log P
1.8369
In Ch Ikey
KYIYXWHVYGBAKF-NVWMEEMDSA-N
Tcm Name
单穗石松
Tcm Name2
DAN SUI SHI SONG
Mol2 Path
/TCM_database/2007_3d_all/01300.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Interrupted Clubmoss
Drug Likeness
0.725
Num Hacceptors
3
Isomeric Smiles
C[C@@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H](C[C@@H]4C1=O)O
Canonical Smiles
CC1CC23C4CCCN2CCCC3C(CC4C1=O)O
Herb Alias Names
(1R,2R,10S,11R,13S,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-14-one664-23-3C09851(15R)-5beta-Hydroxy-15-methyllycopodan-8-oneCHEBI:2741Q27105797
Molecular Weight
263.37 g/mol
Molecular Formula
C16H25NO2
Num Rotatable Bonds
0