Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15070
- Core Entity Id
- 19915
- Source Entity Count
- 1
- Preferred Name
- Conchiolin
- Name En
- Pubchem Id
- 102063123
- Smiles Canonical
- CC=C(C)C(=O)OC1CC(=CCCC(=CC2C1C(=C)C(=O)O2)C)C(=O)OC
- Molecular Formula
- C21H26O6
- Molecular Weight
- 374.4330
- Inchikey
- DBSZDVZLFLCIOQ-FRJTXKLPSA-N
- Inchi
- InChI=1S/C21H26O6/c1-6-13(3)19(22)26-17-11-15(21(24)25-5)9-7-8-12(2)10-16-18(17)14(4)20(23)27-16/h6,9-10,16-18H,4,7-8,11H2,1-3,5H3/b12-10+,13-6-,15-9+/t16-,17+,18-/m1/s1
- Isomeric Smiles
- C/C=C(/C)\C(=O)O[C@H]1C/C(=C\CC/C(=C/[C@@H]2[C@H]1C(=C)C(=O)O2)/C)/C(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.1918
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Conchiolin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Conchiolin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Conchiolin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Conchiolin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
conchiolin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021329
Npass
NPC116489
Tcmid
23823
Sym Map
SMIT23070
Tcm Id
21963
Pub Chem
102063123
Tcmbank
TCMBANKIN018806
Itcmdb Generated
ITX-INGREDIENT-7C0572EC7AEA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H26O6/c1-6-13(3)19(22)26-17-11-15(21(24)25-5)9-7-8-12(2)10-16-18(17)14(4)20(23)27-16/h6,9-10,16-18H,4,7-8,11H2,1-3,5H3/b12-10+,13-6-,15-9+/t16-,17+,18-/m1/s1
Mol Wt
374.4330000000002
Smiles
CC=C(C)C(=O)OC1CC(=CCCC(=CC2C1C(=C)C(=O)O2)C)C(=O)OC
Mol Log P
3.191800000000002
Version
v2
In Ch Ikey
DBSZDVZLFLCIOQ-FRJTXKLPSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.327
Num Hacceptors
6
Isomeric Smiles
C/C=C(/C)\C(=O)O[C@H]1C/C(=C\CC/C(=C/[C@@H]2[C@H]1C(=C)C(=O)O2)/C)/C(=O)OC
Canonical Smiles
CC=C(C)C(=O)OC1CC(=CCCC(=CC2C1C(=C)C(=O)O2)C)C(=O)OC
Molecular Weight
0
Molecular Formula
C21H26O6
Molecular Formula
C21H26O6
Num Rotatable Bonds
3