Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37061
- Core Entity Id
- 44397
- Source Entity Count
- 1
- Preferred Name
- (z)-1,1'-biindenyliden
- Name En
- Pubchem Id
- 5315423
- Smiles Canonical
- C1=CC=C2C(=C1)C=CC2=C3C=CC4=CC=CC=C43
- Molecular Formula
- C18H12
- Molecular Weight
- 228.2940
- Inchikey
- GQUKLRCRWYLZEO-ZCXUNETKSA-N
- Inchi
- InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-12H/b18-17-
- Isomeric Smiles
- C1=CC=C\2C(=C1)C=C/C2=C/3\C=CC4=CC=CC=C43
- Cas Id
- Ob Score
- Mol Logp
- 4.6510
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(Z)-1,1'-Biindenyliden
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(z)-1,1'-biindenyliden
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(z)-1,1'-biindenyliden
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(z)-1,1'-biindenyliden
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048710
Tcmid
2370
Pub Chem
5315423
Tcmbank
TCMBANKIN039212
Etcm Ingredient
(Z)-1,1'-Biindenyliden
Itcmdb Generated
ITX-INGREDIENT-07DA07A68B28
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-12H/b18-17-
Mol Wt
228.294
Smiles
C1=CC=C2C(=C1)C=CC2=C3C=CC4=CC=CC=C43
Mol Log P
4.651000000000003
In Ch Ikey
GQUKLRCRWYLZEO-ZCXUNETKSA-N
Mol2 Path
/TCM_database/2007_3d_all/02370.mol2
Reference
2150
Num Hdonors
0
Drug Likeness
0.615
Num Hacceptors
0
Isomeric Smiles
C1=CC=C\2C(=C1)C=C/C2=C/3\C=CC4=CC=CC=C43
Canonical Smiles
C1=CC=C2C(=C1)C=CC2=C3C=CC4=CC=CC=C43
Molecular Weight
230.110
Molecular Formula
C18H14
Molecular Formula
C18H12
Molecular Formula
C18H12
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.915
Quantitative Estimate Of Drug Likeness（Qed）
0.671