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
- 24299
- Core Entity Id
- 30195
- Source Entity Count
- 1
- Preferred Name
- Laxiflorin l
- Name En
- Pubchem Id
- 101222267
- Smiles Canonical
- CC1(C2CC(=O)C3(C1C(C(=O)C45C3CCC(C4)C(=C)C5O)O)CO2)C
- Molecular Formula
- C20H26O5
- Molecular Weight
- 346.4230
- Inchikey
- ZVTIMIWZIJWASI-RFOZKYSZSA-N
- Inchi
- InChI=1S/C20H26O5/c1-9-10-4-5-11-19(7-10,16(9)23)17(24)14(22)15-18(2,3)13-6-12(21)20(11,15)8-25-13/h10-11,13-16,22-23H,1,4-8H2,2-3H3/t10-,11-,13-,14+,15-,16?,19+,20-/m1/s1
- Isomeric Smiles
- CC1([C@H]2CC(=O)[C@@]3([C@@H]1[C@@H](C(=O)[C@]45[C@H]3CC[C@H](C4)C(=C)C5O)O)CO2)C
- Cas Id
- Ob Score
- Mol Logp
- 1.2638
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Laxiflorin L
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Laxiflorin l
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Laxiflorin l
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
laxiflorin l
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032785
Npass
NPC264433
Tcmid
12584
Pub Chem
101222267
Tcmbank
TCMBANKIN042486
Etcm Ingredient
Laxiflorin L
Itcmdb Generated
ITX-INGREDIENT-EC3BB41221CF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H26O5/c1-9-10-4-5-11-19(7-10,16(9)23)17(24)14(22)15-18(2,3)13-6-12(21)20(11,15)8-25-13/h10-11,13-16,22-23H,1,4-8H2,2-3H3/t10-,11-,13-,14+,15-,16?,19+,20-/m1/s1
Mol Wt
346.423
Smiles
CC1(C2CC(=O)C3(C1C(C(=O)C45C3CCC(C4)C(=C)C5O)O)CO2)C
Mol Log P
1.2638
In Ch Ikey
ZVTIMIWZIJWASI-RFOZKYSZSA-N
Mol2 Path
/TCM_database/2007_3d_all/12589.mol2
Reference
4668
Num Hdonors
2
Drug Likeness
0.645
Num Hacceptors
5
Isomeric Smiles
CC1([C@H]2CC(=O)[C@@]3([C@@H]1[C@@H](C(=O)[C@]45[C@H]3CC[C@H](C4)C(=C)C5O)O)CO2)C
Canonical Smiles
CC1(C2CC(=O)C3(C1C(C(=O)C45C3CCC(C4)C(=C)C5O)O)CO2)C
Molecular Weight
346.180
Molecular Weight
346.4 g/mol
Molecular Formula
C20H26O5
Molecular Formula
C20H26O5
Molecular Formula
C20H26O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.853
Quantitative Estimate Of Drug Likeness（Qed）
0.645