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
- 24138
- Core Entity Id
- 30015
- Source Entity Count
- 1
- Preferred Name
- Lamiol
- Name En
- Pubchem Id
- 15560023
- Smiles Canonical
- CC1=COC(C2C1(C(CC2(C)O)O)O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C16H26O10
- Molecular Weight
- 378.3740
- Inchikey
- IPTRSKQQZMUJQM-AEKJLLHFSA-N
- Inchi
- InChI=1S/C16H26O10/c1-6-5-24-14(12-15(2,22)3-8(18)16(6,12)23)26-13-11(21)10(20)9(19)7(4-17)25-13/h5,7-14,17-23H,3-4H2,1-2H3/t7-,8-,9-,10+,11-,12-,13+,14+,15+,16-/m1/s1
- Isomeric Smiles
- CC1=CO[C@H]([C@H]2[C@@]1([C@@H](C[C@]2(C)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.0741
- Num H Donors
- 7
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lamiol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lamiol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lamiol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
lamiol
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032593
Tcmid
12453
Pub Chem
15560023
Tcmbank
TCMBANKIN029040
Etcm Ingredient
Lamiol
Itcmdb Generated
ITX-INGREDIENT-0C82DBCC16CD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H26O10/c1-6-5-24-14(12-15(2,22)3-8(18)16(6,12)23)26-13-11(21)10(20)9(19)7(4-17)25-13/h5,7-14,17-23H,3-4H2,1-2H3/t7-,8-,9-,10+,11-,12-,13+,14+,15+,16-/m1/s1
Mol Wt
378.3740000000001
Smiles
CC1=COC(C2C1(C(CC2(C)O)O)O)OC3C(C(C(C(O3)CO)O)O)O
Mol Log P
-3.074099999999997
In Ch Ikey
IPTRSKQQZMUJQM-AEKJLLHFSA-N
Num Hdonors
7
Drug Likeness
0.267
Num Hacceptors
10
Isomeric Smiles
CC1=CO[C@H]([C@H]2[C@@]1([C@@H](C[C@]2(C)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Canonical Smiles
CC1=COC(C2C1(C(CC2(C)O)O)O)OC3C(C(C(C(O3)CO)O)O)O
Molecular Weight
378.150
Molecular Weight
378.37 g/mol
Molecular Formula
C16H26O10
Molecular Formula
C16H26O10
Molecular Formula
C16H26O10
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.267