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
- 24220
- Core Entity Id
- 30107
- Source Entity Count
- 1
- Preferred Name
- Larreagenin a
- Name En
- Pubchem Id
- 14888779
- Smiles Canonical
- CC1(C2CCC3(C(C2(CCC1O)C)CCC4=C5CC6(CCC5(CCC43C)C(=O)O6)C)C)C
- Molecular Formula
- C29H44O3
- Molecular Weight
- 440.6680
- Inchikey
- SVXQNFUGNPYYCZ-JJDDSCJWSA-N
- Inchi
- InChI=1S/C29H44O3/c1-24(2)20-9-12-28(6)21(26(20,4)11-10-22(24)30)8-7-18-19-17-25(3)13-15-29(19,23(31)32-25)16-14-27(18,28)5/h20-22,30H,7-17H2,1-6H3/t20-,21+,22-,25-,26-,27+,28+,29-/m0/s1
- Isomeric Smiles
- C[C@]12CC[C@@]3(CC[C@@]4(C(=C3C1)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O)C)C)C)C(=O)O2
- Cas Id
- Ob Score
- Mol Logp
- 6.5824
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Larreagenin A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Larreagenin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Larreagenin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
落葵薯
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LUO KUI SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
落葵薯LUO KUI SHU
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032686
Npass
NPC307309
Tcmid
12521
Pub Chem
14888779
Tcmbank
TCMBANKIN037196
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H44O3/c1-24(2)20-9-12-28(6)21(26(20,4)11-10-22(24)30)8-7-18-19-17-25(3)13-15-29(19,23(31)32-25)16-14-27(18,28)5/h20-22,30H,7-17H2,1-6H3/t20-,21+,22-,25-,26-,27+,28+,29-/m0/s1
Mol Wt
440.6680000000002
Mol Log P
6.582400000000009
In Ch Ikey
SVXQNFUGNPYYCZ-JJDDSCJWSA-N
Tcm Name
落葵薯
Tcm Name2
LUO KUI SHU
Mol2 Path
/TCM_database/2007_3d_all/12526.mol2
Reference
660
Num Hdonors
1
Drug Likeness
0.342
Num Hacceptors
3
Isomeric Smiles
C[C@]12CC[C@@]3(CC[C@@]4(C(=C3C1)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O)C)C)C)C(=O)O2
Canonical Smiles
CC1(C2CCC3(C(C2(CCC1O)C)CCC4=C5CC6(CCC5(CCC43C)C(=O)O6)C)C)C
Molecular Weight
440.7 g/mol
Molecular Formula
C29H44O3
Num Rotatable Bonds
0