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
- 25010
- Core Entity Id
- 30994
- Source Entity Count
- 1
- Preferred Name
- Lungshengenin d
- Name En
- Pubchem Id
- 20056111
- Smiles Canonical
- CC(=O)OC1CC(C2(C3C4CC5CC3(CC(=O)C2C1(C)C)CC5(O4)C)C)O
- Molecular Formula
- C22H32O5
- Molecular Weight
- 376.4930
- Inchikey
- QAPUXGXVLBHYJQ-IFZMFNAGSA-N
- Inchi
- InChI=1S/C22H32O5/c1-11(23)26-16-7-15(25)21(5)17(19(16,2)3)13(24)9-22-8-12-6-14(18(21)22)27-20(12,4)10-22/h12,14-18,25H,6-10H2,1-5H3/t12-,14+,15+,16+,17-,18+,20+,21-,22-/m1/s1
- Isomeric Smiles
- CC(=O)O[C@H]1C[C@@H]([C@]2([C@@H]3[C@@H]4C[C@@H]5C[C@@]3(CC(=O)[C@@H]2C1(C)C)C[C@@]5(O4)C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8780
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lungshengenin D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lungshengenin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lungshengenin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lungshengenin d
Role
preferred
Source
TCMBank
Preferred
Yes
Name
((1S,4R,6S,8S,9S,10R,11S,13S,14S)-8-hydroxy-5,5,9,13-tetramethyl-3-oxo-12-oxapentacyclo(11.2.1.111,14.01,10.04,9)heptadecan-6-yl) acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1alpha,3beta,5beta,8alpha,9beta,10alpha,11beta,13alpha)-1-Hydroxy-6-oxo-11,16-epoxykauran-3-yl acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1alpha,3beta,5beta,8alpha,9beta,10alpha,11beta,13alpha)-1-Hydroxy-6-oxo-11,16-epoxykauran-3-yl acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
220379-40-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
220379-40-8
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1S,4R,6S,8S,9S,10R,11S,13S,14S)-8-Hydroxy-5,5,9,13-tetramethyl-3-oxo-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecan-6-yl] acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
龙胜香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LONG SHENG XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Longshen Rabdosia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
((1S,4R,6S,8S,9S,10R,11S,13S,14S)-8-hydroxy-5,5,9,13-tetramethyl-3-oxo-12-oxapentacyclo(11.2.1.111,14.01,10.04,9)heptadecan-6-yl) acetate(1alpha,3beta,5beta,8alpha,9beta,10alpha,11beta,13alpha)-1-Hydroxy-6-oxo-11,16-epoxykauran-3-yl acetate220379-40-8[(1S,4R,6S,8S,9S,10R,11S,13S,14S)-8-Hydroxy-5,5,9,13-tetramethyl-3-oxo-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecan-6-yl] acetate龙胜香茶菜LONG SHENG XIANG CHA CAILongshen Rabdosia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033720
Tcmid
13073
Pub Chem
20056111
Tcmbank
TCMBANKIN017771TCMBANKIN056392
Etcm Ingredient
Lungshengenin D
Itcmdb Generated
ITX-INGREDIENT-DB7526775FC5ITX-INGREDIENT-8817CFB2CDEA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H32O5/c1-11(23)26-16-7-15(25)21(5)17(19(16,2)3)13(24)9-22-8-12-6-14(18(21)22)27-20(12,4)10-22/h12,14-18,25H,6-10H2,1-5H3/t12-,14+,15+,16+,17-,18+,20+,21-,22-/m1/s1
Mol Wt
376.4930000000002
Smiles
CC(=O)OC1CC(C2(C3C4CC5CC3(CC(=O)C2C1(C)C)CC5(O4)C)C)O
Mol Log P
2.878000000000001
In Ch Ikey
QAPUXGXVLBHYJQ-IFZMFNAGSA-N
Tcm Name
龙胜香茶菜
Tcm Name2
LONG SHENG XIANG CHA CAI
Mol2 Path
/TCM_database/2003_3d_all/4996.mol2
Reference
690
Num Hdonors
1
Tcm Name En
Longshen Rabdosia
Drug Likeness
0.713
Num Hacceptors
5
Isomeric Smiles
CC(=O)O[C@H]1C[C@@H]([C@]2([C@@H]3[C@@H]4C[C@@H]5C[C@@]3(CC(=O)[C@@H]2C1(C)C)C[C@@]5(O4)C)C)O
Canonical Smiles
CC(=O)OC1CC(C2(C3C4CC5CC3(CC(=O)C2C1(C)C)CC5(O4)C)C)O
Herb Alias Names
[(1S,4R,6S,8S,9S,10R,11S,13S,14S)-8-Hydroxy-5,5,9,13-tetramethyl-3-oxo-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecan-6-yl] acetate((1S,4R,6S,8S,9S,10R,11S,13S,14S)-8-hydroxy-5,5,9,13-tetramethyl-3-oxo-12-oxapentacyclo(11.2.1.111,14.01,10.04,9)heptadecan-6-yl) acetate(1alpha,3beta,5beta,8alpha,9beta,10alpha,11beta,13alpha)-1-Hydroxy-6-oxo-11,16-epoxykauran-3-yl acetate220379-40-8
Molecular Weight
376.220
Molecular Weight
376.5 g/mol
Molecular Formula
C22H32O5
Molecular Formula
C22H32O5
Molecular Formula
C22H32O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.804
Quantitative Estimate Of Drug Likeness（Qed）
0.713