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
- 10912
- Core Entity Id
- 15292
- Source Entity Count
- 1
- Preferred Name
- Annopodine
- Name En
- Pubchem Id
- 12306652
- Smiles Canonical
- CC1CC23C4CCCN2CC1CC3=C(CC4O)C(=O)OC
- Molecular Formula
- C17H25NO3
- Molecular Weight
- 291.3910
- Inchikey
- QLVYEQJRDUIHRS-SXBHSIJNSA-N
- Inchi
- InChI=1S/C17H25NO3/c1-10-8-17-13-4-3-5-18(17)9-11(10)6-14(17)12(7-15(13)19)16(20)21-2/h10-11,13,15,19H,3-9H2,1-2H3/t10-,11-,13+,15+,17-/m0/s1
- Isomeric Smiles
- C[C@H]1C[C@@]23[C@@H]4CCCN2C[C@@H]1CC3=C(C[C@H]4O)C(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.7311
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Annopodine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Annopodine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Annopodine
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
NS00094255
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00094255
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
单穗石松DAN SUI SHI SONGInterrupted ClubmossNS00094255
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016230
Npass
NPC303898
Tcmid
1323
Pub Chem
12306652
Tcmbank
TCMBANKIN043332
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H25NO3/c1-10-8-17-13-4-3-5-18(17)9-11(10)6-14(17)12(7-15(13)19)16(20)21-2/h10-11,13,15,19H,3-9H2,1-2H3/t10-,11-,13+,15+,17-/m0/s1
Mol Wt
291.391
Mol Log P
1.7311
In Ch Ikey
QLVYEQJRDUIHRS-SXBHSIJNSA-N
Tcm Name
单穗石松
Tcm Name2
DAN SUI SHI SONG
Mol2 Path
/TCM_database/2007_3d_all/01323.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Interrupted Clubmoss
Drug Likeness
0.748
Num Hacceptors
4
Isomeric Smiles
C[C@H]1C[C@@]23[C@@H]4CCCN2C[C@@H]1CC3=C(C[C@H]4O)C(=O)OC
Canonical Smiles
CC1CC23C4CCCN2CC1CC3=C(CC4O)C(=O)OC
Herb Alias Names
NS00094255
Molecular Weight
291.4 g/mol
Molecular Formula
C17H25NO3
Num Rotatable Bonds
1