Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24959
- Core Entity Id
- 30938
- Source Entity Count
- 1
- Preferred Name
- Lucidioline
- Name En
- Pubchem Id
- 21576177
- Smiles Canonical
- CC1CC2C(C(C3CCCN4C3(C1)C2=CCC4)O)O
- Molecular Formula
- C16H25NO2
- Molecular Weight
- 263.3810
- Inchikey
- PGFDCVXTDHLBKG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h4,10-11,13-15,18-19H,2-3,5-9H2,1H3
- Isomeric Smiles
- CC1CC2C(C(C3CCCN4C3(C1)C2=CCC4)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5488
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lucidioline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Lucidioline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lucidioline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lucidioline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lucidioline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lucidioline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
千层塔(蛇足石杉)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QIAN CENG TA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Serrate Clubmoss
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(5beta,6alpha,15R)-11,12-Didehydro-15-methyllycopodane-5,6-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(5beta,6alpha,15R)-11,12-Didehydro-15-methyllycopodane-5,6-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
15-Methyllycopod-11-ene-5,6-diol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
15-Methyllycopod-11-ene-5,6-diol #
Role
alias
Source
HERB_v2
Preferred
No
Name
15-methyl-6-azatetracyclo(8.6.0.01,6.02,13)hexadec-2-ene-11,12-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
15-methyl-6-azatetracyclo(8.6.0.01,6.02,13)hexadec-2-ene-11,12-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
22594-91-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
22594-91-8
Role
alias
Source
HERB_v2
Preferred
No
Name
Deacetyldehydrolycoclavine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Deacetyldehydrolycoclavine
Role
alias
Source
HERB_v2
Preferred
No
Name
Lucidialine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lucidialine
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycopodane-5,6-diol, 11,12-didehydro-15-methyl-, (5.beta.,6.alpha.,15R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycopodane-5,6-diol, 11,12-didehydro-15-methyl-, (5.beta.,6.alpha.,15R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycopodane-5,6-diol, 12,13-didehydro-16-methyl-, (5.beta.,6.alpha.,16R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycopodane-5,6-diol, 12,13-didehydro-16-methyl-, (5.beta.,6.alpha.,16R)-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
千层塔(蛇足石杉)QIAN CENG TASerrate Clubmoss(5beta,6alpha,15R)-11,12-Didehydro-15-methyllycopodane-5,6-diol15-Methyllycopod-11-ene-5,6-diol #15-methyl-6-azatetracyclo(8.6.0.01,6.02,13)hexadec-2-ene-11,12-diol22594-91-8DeacetyldehydrolycoclavineLucidialineLycopodane-5,6-diol, 11,12-didehydro-15-methyl-, (5.beta.,6.alpha.,15R)-Lycopodane-5,6-diol, 12,13-didehydro-16-methyl-, (5.beta.,6.alpha.,16R)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033662
Tcmid
13040
Sym Map
SMIT25117
Pub Chem
21576177609119
Tcmbank
TCMBANKIN045013
Etcm Ingredient
Lucidioline
Itcmdb Generated
ITX-INGREDIENT-0697292425FEITX-INGREDIENT-5D0AFFC358FC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h4,10-11,13-15,18-19H,2-3,5-9H2,1H3
Mol Wt
263.3809999999999
Mol Log P
1.5488
Version
v2
In Ch Ikey
PGFDCVXTDHLBKG-UHFFFAOYSA-N
Suppress
0
Tcm Name
千层塔(蛇足石杉)
Tcm Name2
QIAN CENG TA
Mol2 Path
/TCM_database/2007_3d_all/13046.mol2
Reference
660, 1521, 4388
Num Hdonors
2
Tcm Name En
Serrate Clubmoss
Drug Likeness
0.652
Num Hacceptors
3
Isomeric Smiles
CC1CC2C(C(C3CCCN4C3(C1)C2=CCC4)O)O
Canonical Smiles
CC1CC2C(C(C3CCCN4C3(C1)C2=CCC4)O)O
Herb Alias Names
Lucidialine22594-91-8(5beta,6alpha,15R)-11,12-Didehydro-15-methyllycopodane-5,6-diolLycopodane-5,6-diol, 11,12-didehydro-15-methyl-, (5.beta.,6.alpha.,15R)-Lycopodane-5,6-diol, 12,13-didehydro-16-methyl-, (5.beta.,6.alpha.,16R)-15-methyl-6-azatetracyclo(8.6.0.01,6.02,13)hexadec-2-ene-11,12-diol15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diolDeacetyldehydrolycoclavine15-Methyllycopod-11-ene-5,6-diol #
Molecular Weight
263.190
Molecular Weight
263.37 g/mol
Molecular Formula
C16H25NO2
Molecular Formula
C16H25NO2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.897
Quantitative Estimate Of Drug Likeness（Qed）
0.652