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
- 24088
- Core Entity Id
- 29959
- Source Entity Count
- 1
- Preferred Name
- Lacinilene a
- Name En
- Pubchem Id
- 10878174
- Smiles Canonical
- CC1=C2C=C(C=CC2=C(C=C1)C(C)C)O
- Molecular Formula
- C14H16O
- Molecular Weight
- 200.2810
- Inchikey
- IUYVYWGWLYHKNT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3
- Isomeric Smiles
- CC1=C2C=C(C=CC2=C(C=C1)C(C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.9772
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lacinilene A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lacinilene a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lacinilene a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lacinilene a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032520
Tcmid
12426
Pub Chem
10878174
Tcmbank
TCMBANKIN049305
Etcm Ingredient
Lacinilene A
Itcmdb Generated
ITX-INGREDIENT-6FAF4DD67D57
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H16O/c1-9(2)12-6-4-10(3)14-8-11(15)5-7-13(12)14/h4-9,15H,1-3H3
Mol Wt
200.281
Smiles
CC1=C2C=C(C=CC2=C(C=C1)C(C)C)O
Mol Log P
3.977220000000003
In Ch Ikey
IUYVYWGWLYHKNT-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/12431.mol2
Reference
660
Num Hdonors
1
Drug Likeness
0.738
Num Hacceptors
1
Isomeric Smiles
CC1=C2C=C(C=CC2=C(C=C1)C(C)C)O
Canonical Smiles
CC1=C2C=C(C=CC2=C(C=C1)C(C)C)O
Molecular Weight
200.120
Molecular Weight
200.28 g/mol
Molecular Formula
C14H16O
Molecular Formula
C14H16O
Molecular Formula
C14H16O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.910
Quantitative Estimate Of Drug Likeness（Qed）
0.738