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
- 24232
- Core Entity Id
- 30120
- Source Entity Count
- 1
- Preferred Name
- Lasiokaurinin
- Name En
- Pubchem Id
- 102090472
- Smiles Canonical
- CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(C5=O)COC)O)(C)C
- Molecular Formula
- C23H34O8
- Molecular Weight
- 438.5170
- Inchikey
- LKQZANFJJKHPQL-ULCVOCRNSA-N
- Inchi
- InChI=1S/C23H34O8/c1-11(24)31-15-7-8-20(2,3)16-19(27)23(28)22-14(21(15,16)10-30-23)6-5-12(17(22)25)13(9-29-4)18(22)26/h12-17,19,25,27-28H,5-10H2,1-4H3/t12-,13-,14-,15-,16+,17+,19-,21+,22+,23+/m0/s1
- Isomeric Smiles
- CC(=O)O[C@H]1CCC([C@@H]2[C@@]13CO[C@]([C@H]2O)([C@]45[C@H]3CC[C@H]([C@H]4O)[C@@H](C5=O)COC)O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 0.6528
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lasiokaurinin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lasiokaurinin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lasiokaurinin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
52554-74-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
52554-74-2
Role
alias
Source
HERB_v2
Preferred
No
Name
G89195
Role
alias
Source
itcmdb_public
Preferred
No
Name
G89195
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
52554-74-2G89195
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032699
Tcmid
12533
Pub Chem
102090472
Tcmbank
TCMBANKIN040630
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H34O8/c1-11(24)31-15-7-8-20(2,3)16-19(27)23(28)22-14(21(15,16)10-30-23)6-5-12(17(22)25)13(9-29-4)18(22)26/h12-17,19,25,27-28H,5-10H2,1-4H3/t12-,13-,14-,15-,16+,17+,19-,21+,22+,23+/m0/s1
Mol Wt
438.5170000000002
Smiles
CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(C5=O)COC)O)(C)C
Mol Log P
0.6528000000000003
In Ch Ikey
LKQZANFJJKHPQL-ULCVOCRNSA-N
Mol2 Path
/TCM_database/2007_3d_all/12538.mol2
Reference
4067
Num Hdonors
3
Drug Likeness
0.549
Num Hacceptors
8
Isomeric Smiles
CC(=O)O[C@H]1CCC([C@@H]2[C@@]13CO[C@]([C@H]2O)([C@]45[C@H]3CC[C@H]([C@H]4O)[C@@H](C5=O)COC)O)(C)C
Canonical Smiles
CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(C5=O)COC)O)(C)C
Herb Alias Names
52554-74-2G89195
Molecular Weight
438.5 g/mol
Molecular Formula
C23H34O8
Molecular Formula
C23H34O8
Num Rotatable Bonds
3