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
- 24226
- Core Entity Id
- 30114
- Source Entity Count
- 1
- Preferred Name
- Lasindin
- Name En
- Pubchem Id
- 44585564
- Smiles Canonical
- CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C
- Molecular Formula
- C22H30O7
- Molecular Weight
- 406.4750
- Inchikey
- DJQLJZNVICMJRV-YWPRSKQJSA-N
- Inchi
- InChI=1S/C22H30O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h12-15,17-18,25-27H,1,5-9H2,2-4H3/t12-,13-,14-,15+,17+,18-,20+,21-,22?/m0/s1
- Isomeric Smiles
- CC(=O)O[C@H]1CCC([C@@H]2[C@@]13COC([C@H]2O)([C@]45[C@H]3CC[C@H]([C@H]4O)C(=C)C5=O)O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 0.9464
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lasindin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lasindin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
28957-08-6
Role
alias
Source
HERB_v2
Preferred
No
Name
28957-08-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL521234
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL521234
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lasiodin
Role
alias
Source
HERB_v2
Preferred
No
Name
Lasiodin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lasiokaurin
Role
alias
Source
HERB_v2
Preferred
No
Name
Lasiokaurin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
28957-08-6CHEMBL521234LasiodinLasiokaurin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032693
Npass
NPC85758
Tcmid
1253434914
Pub Chem
44585564
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H30O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h12-15,17-18,25-27H,1,5-9H2,2-4H3/t12-,13-,14-,15+,17+,18-,20+,21-,22?/m0/s1
Mol Wt
406.4750000000002
Mol Log P
0.9463999999999997
In Ch Ikey
DJQLJZNVICMJRV-YWPRSKQJSA-N
Num Hdonors
3
Drug Likeness
0.439
Num Hacceptors
7
Isomeric Smiles
CC(=O)O[C@H]1CCC([C@@H]2[C@@]13COC([C@H]2O)([C@]45[C@H]3CC[C@H]([C@H]4O)C(=C)C5=O)O)(C)C
Canonical Smiles
CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C
Herb Alias Names
LasiokaurinLasiodin28957-08-6CHEMBL521234
Molecular Formula
C22H30O7
Num Rotatable Bonds
1