Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25233
- Core Entity Id
- 31239
- Source Entity Count
- 1
- Preferred Name
- Lycopodine
- Name En
- Pubchem Id
- 5462445
- Smiles Canonical
- CC1CC2CC(=O)C3CCCN4C3(C1)C2CCC4
- Molecular Formula
- C16H25NO
- Molecular Weight
- 247.3820
- Inchikey
- BCZFSDNVXODRAJ-JTTNIQEDSA-N
- Inchi
- InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12+,13-,14-,16-/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4
- Cas Id
- Ob Score
- Mol Logp
- 2.8661
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycopodine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lycopodine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lycopodine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lycopodine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lycopodine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+/-)-Lycopodine
Role
alias
Source
HERB_v2
Preferred
No
Name
(15R)-15-Methyllycopodan-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(15R)-15-Methyllycopodan-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2P5MU968XW
Role
alias
Source
itcmdb_public
Preferred
No
Name
2P5MU968XW
Role
alias
Source
HERB_v2
Preferred
No
Name
466-61-5
Role
alias
Source
HERB_v2
Preferred
No
Name
466-61-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-Lycopodine
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-Lycopodine
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycopodine, (+/-)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NTV9A2GW9H
Role
alias
Source
HERB_v2
Preferred
No
Name
NTV9A2GW9H
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-2P5MU968XW
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-2P5MU968XW
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-NTV9A2GW9H
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-NTV9A2GW9H
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+/-)-Lycopodine(15R)-15-Methyllycopodan-5-one2P5MU968XW466-61-5DL-LycopodineLycopodine, (+/-)-NTV9A2GW9HUNII-2P5MU968XWUNII-NTV9A2GW9H
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033986
Npass
NPC266335
Tcmid
13216
Sym Map
SMIT01495
Tcm Id
2640
Pub Chem
5462445
Tcmbank
TCMBANKIN006089
Etcm Ingredient
Lycopodine
Itcmdb Generated
ITX-INGREDIENT-E1C7B2D51EC3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12+,13-,14-,16-/m1/s1
Mol Wt
247.3819999999999
Smiles
CC1CC2CC(=O)C3CCCN4C3(C1)C2CCC4
Mol Log P
2.866100000000001
Version
v1,v2
In Ch Ikey
BCZFSDNVXODRAJ-JTTNIQEDSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.656
Num Hacceptors
2
Isomeric Smiles
C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4
Canonical Smiles
CC1CC2CC(=O)C3CCCN4C3(C1)C2CCC4
Herb Alias Names
466-61-5(15R)-15-Methyllycopodan-5-oneDL-Lycopodine(+/-)-LycopodineLycopodine, (+/-)-NTV9A2GW9HUNII-2P5MU968XW2P5MU968XWUNII-NTV9A2GW9H
Molecular Weight
247.190
Molecular Weight
247.38 g/mol
Molecule Formula
C16H25NO
Molecular Formula
C16H25NO
Molecular Formula
C16H25NO
Molecular Formula
C16H25NO
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.927
Quantitative Estimate Of Drug Likeness（Qed）
0.656