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
- 25193
- Core Entity Id
- 31195
- Source Entity Count
- 1
- Preferred Name
- Lycofawcine
- Name En
- Pubchem Id
- 5462444
- Smiles Canonical
- CC1CC23C4CCCN2CCCC3(C(C1O)CC4OC(=O)C)O
- Molecular Formula
- C18H29NO4
- Molecular Weight
- 323.4330
- Inchikey
- ZHMNKOPAHVBXQW-HCXPVWKYSA-N
- Inchi
- InChI=1S/C18H29NO4/c1-11-10-17-13-5-3-7-19(17)8-4-6-18(17,22)14(16(11)21)9-15(13)23-12(2)20/h11,13-16,21-22H,3-10H2,1-2H3/t11-,13+,14+,15+,16+,17-,18-/m0/s1
- Isomeric Smiles
- C[C@H]1C[C@@]23[C@@H]4CCCN2CCC[C@@]3([C@@H]([C@@H]1O)C[C@H]4OC(=O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3144
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycofawcine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Lycofawcine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycofawcine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lycofawcine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lycofawcine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
lycofawcine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,9-Ethanobenzo(I)quinolizine-8a,10,14(6H)-triol, decahydro-11-methyl-, 14-acetate, (1S,8aS,9R,10R,11S,12aS,14R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,9-Ethanobenzo(I)quinolizine-8a,10,14(6H)-triol, decahydro-11-methyl-, 14-acetate, (1S,8aS,9R,10R,11S,12aS,14R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3175-90-4
Role
alias
Source
HERB_v2
Preferred
No
Name
3175-90-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
8U5DZM1QOK
Role
alias
Source
itcmdb_public
Preferred
No
Name
8U5DZM1QOK
Role
alias
Source
HERB_v2
Preferred
No
Name
Alkaloid L from lycopodium
Role
alias
Source
HERB_v2
Preferred
No
Name
Alkaloid L from lycopodium
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lucofawcine
Role
alias
Source
HERB_v2
Preferred
No
Name
Lucofawcine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycofawcine [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycofawcine [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycopodium Base L
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycopodium Base L
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-8U5DZM1QOK
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-8U5DZM1QOK
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(1S,2S,10S,11R,13R,14R,15S)-2,14-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1S,2S,10S,11R,13R,14R,15S)-2,14-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,9-Ethanobenzo(I)quinolizine-8a,10,14(6H)-triol, decahydro-11-methyl-, 14-acetate, (1S,8aS,9R,10R,11S,12aS,14R)-3175-90-48U5DZM1QOKAlkaloid L from lycopodiumLucofawcineLycofawcine [MI]Lycopodium Base LUNII-8U5DZM1QOK[(1S,2S,10S,11R,13R,14R,15S)-2,14-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033941
Npass
NPC158998
Tcmid
13185
Sym Map
SMIT25164
Pub Chem
5462444
Tcmbank
TCMBANKIN038551
Etcm Ingredient
lycofawcine
Itcmdb Generated
ITX-INGREDIENT-06D4AC7D79B1ITX-INGREDIENT-827400BE3204
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H29NO4/c1-11-10-17-13-5-3-7-19(17)8-4-6-18(17,22)14(16(11)21)9-15(13)23-12(2)20/h11,13-16,21-22H,3-10H2,1-2H3/t11-,13+,14+,15+,16+,17-,18-/m0/s1
Mol Wt
323.433
Smiles
CC1CC23C4CCCN2CCCC3(C(C1O)CC4OC(=O)C)O
Mol Log P
1.3144
Version
v2
In Ch Ikey
ZHMNKOPAHVBXQW-HCXPVWKYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/13192.mol2
Reference
660
Num Hdonors
2
Drug Likeness
0.712
Num Hacceptors
5
Isomeric Smiles
C[C@H]1C[C@@]23[C@@H]4CCCN2CCC[C@@]3([C@@H]([C@@H]1O)C[C@H]4OC(=O)C)O
Canonical Smiles
CC1CC23C4CCCN2CCCC3(C(C1O)CC4OC(=O)C)O
Herb Alias Names
Lycopodium Base LLycofawcine [MI]Alkaloid L from lycopodiumUNII-8U5DZM1QOK8U5DZM1QOK1,9-Ethanobenzo(I)quinolizine-8a,10,14(6H)-triol, decahydro-11-methyl-, 14-acetate, (1S,8aS,9R,10R,11S,12aS,14R)-3175-90-4Lucofawcine[(1S,2S,10S,11R,13R,14R,15S)-2,14-dihydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
Molecular Weight
323.210
Molecular Weight
323.4 g/mol
Molecular Formula
C18H29NO4
Molecular Formula
C18H29NO4
Molecular Formula
C18H29NO4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.288
Quantitative Estimate Of Drug Likeness（Qed）
0.712