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
- 16289
- Core Entity Id
- 21276
- Source Entity Count
- 1
- Preferred Name
- Dayecrystal a
- Name En
- Pubchem Id
- 102004538
- Smiles Canonical
- CC1(CCCC2(C1CCC34C2CCC(C3O)C(C4)(C)O)C=O)C
- Molecular Formula
- C20H32O3
- Molecular Weight
- 320.4730
- Inchikey
- HGSLTWCHZKTSMQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H32O3/c1-17(2)8-4-9-20(12-21)14(17)7-10-19-11-18(3,23)13(16(19)22)5-6-15(19)20/h12-16,22-23H,4-11H2,1-3H3
- Isomeric Smiles
- CC1(CCCC2(C1CCC34C2CCC(C3O)C(C4)(C)O)C=O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.3200
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dayecrystal a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dayecrystal a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
dayecrystal A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
926010-24-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
926010-24-4
Role
alias
Source
HERB_v2
Preferred
No
Name
dayecrystalA
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
926010-24-4dayecrystalA
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022810
Tcmid
3239532396
Pub Chem
102004538155886683
Tcmbank
TCMBANKIN010011
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O3/c1-17(2)8-4-9-20(12-21)14(17)7-10-19-11-18(3,23)13(16(19)22)5-6-15(19)20/h12-16,22-23H,4-11H2,1-3H3
Mol Wt
320.4730000000001
Smiles
CC1(CCCC2(C1CCC34C2CCC(C3O)C(C4)(C)O)C=O)C
Mol Log P
3.320000000000002
In Ch Ikey
HGSLTWCHZKTSMQ-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.729
Num Hacceptors
3
Isomeric Smiles
CC1(CCCC2(C1CCC34C2CCC(C3O)C(C4)(C)O)C=O)C
Canonical Smiles
CC1(CCCC2(C1CCC34C2CCC(C3O)C(C4)(C)O)C=O)C
Herb Alias Names
926010-24-4
Molecular Weight
320.5 g/mol
Molecular Formula
C20H32O3
Molecular Formula
C20H32O3
Num Rotatable Bonds
1