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
- 24956
- Core Entity Id
- 30934
- Source Entity Count
- 1
- Preferred Name
- Lucidine a
- Name En
- Pubchem Id
- 10576224
- Smiles Canonical
- CC1CC2CC3=NC(CCC3C4CC2C(C1)N(C4)C)CC5CC(CC6C5CCCN6C(=O)C)C
- Molecular Formula
- C30H49N3O
- Molecular Weight
- 467.7420
- Inchikey
- ZGALAVFQYJOLRQ-IBUXESKSSA-N
- Inchi
- InChI=1S/C30H49N3O/c1-18-11-22-16-28-25(23-15-27(22)29(12-18)32(4)17-23)8-7-24(31-28)14-21-10-19(2)13-30-26(21)6-5-9-33(30)20(3)34/h18-19,21-27,29-30H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24-,25?,26-,27-,29+,30+/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@H]2CC3=N[C@H](CCC3[C@@H]4C[C@H]2[C@H](C1)N(C4)C)C[C@H]5C[C@@H](C[C@H]6[C@@H]5CCCN6C(=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.6556
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lucidine A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lucidine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lucidine a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
光亮石松
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG LIANG SHI SONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shining Clubmoss*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1-((4aR,5R,7S,8aS)-5-(((1S,5R,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo(7.6.2.02,7.013,17)heptadec-6-en-5-yl)methyl)-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[(4Ar,5R,7S,8aS)-5-[[(1S,5R,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
Role
alias
Source
HERB_v2
Preferred
No
Name
72254-08-1
Role
alias
Source
HERB_v2
Preferred
No
Name
72254-08-1
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
光亮石松GUANG LIANG SHI SONGShining Clubmoss*1-((4aR,5R,7S,8aS)-5-(((1S,5R,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo(7.6.2.02,7.013,17)heptadec-6-en-5-yl)methyl)-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone1-[(4Ar,5R,7S,8aS)-5-[[(1S,5R,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone72254-08-1
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033656
Tcmid
13036
Pub Chem
10576224
Tcmbank
TCMBANKIN037022
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H49N3O/c1-18-11-22-16-28-25(23-15-27(22)29(12-18)32(4)17-23)8-7-24(31-28)14-21-10-19(2)13-30-26(21)6-5-9-33(30)20(3)34/h18-19,21-27,29-30H,5-17H2,1-4H3/t18-,19+,21-,22+,23-,24-,25?,26-,27-,29+,30+/m1/s1
Mol Wt
467.7420000000004
Mol Log P
5.655600000000006
In Ch Ikey
ZGALAVFQYJOLRQ-IBUXESKSSA-N
Tcm Name
光亮石松
Tcm Name2
GUANG LIANG SHI SONG
Mol2 Path
/TCM_database/2007_3d_all/13042.mol2
Reference
3927
Num Hdonors
0
Tcm Name En
Shining Clubmoss*
Drug Likeness
0.526
Num Hacceptors
3
Isomeric Smiles
C[C@@H]1C[C@H]2CC3=N[C@H](CCC3[C@@H]4C[C@H]2[C@H](C1)N(C4)C)C[C@H]5C[C@@H](C[C@H]6[C@@H]5CCCN6C(=O)C)C
Canonical Smiles
CC1CC2CC3=NC(CCC3C4CC2C(C1)N(C4)C)CC5CC(CC6C5CCCN6C(=O)C)C
Herb Alias Names
1-[(4Ar,5R,7S,8aS)-5-[[(1S,5R,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadec-6-en-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone1-((4aR,5R,7S,8aS)-5-(((1S,5R,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo(7.6.2.02,7.013,17)heptadec-6-en-5-yl)methyl)-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethanone72254-08-1
Molecular Weight
467.7 g/mol
Molecular Formula
C30H49N3O
Num Rotatable Bonds
2