Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17108
- Core Entity Id
- 22186
- Source Entity Count
- 1
- Preferred Name
- Dihydroconessine
- Name En
- Pubchem Id
- 102093824
- Smiles Canonical
- CC1C2CCC3C2(CCC4C3CCC5C4(CCC(C5)N(C)C)C)CN1C
- Molecular Formula
- C24H42N2
- Molecular Weight
- 358.6140
- Inchikey
- ZUKZAQFFEBCYLE-HTDSQAANSA-N
- Inchi
- InChI=1S/C24H42N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h16-22H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C
- Cas Id
- Ob Score
- Mol Logp
- 4.8895
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydroconessine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihydroconessine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dihydroconessine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
dihydroconessine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
SCHEMBL24481412
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL24481412
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL24481412
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023845
Tcmid
5562
Pub Chem
102093824
Tcmbank
TCMBANKIN019793
Etcm Ingredient
Dihydroconessine
Itcmdb Generated
ITX-INGREDIENT-9FD457B5A09C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H42N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h16-22H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
Mol Wt
358.6140000000001
Smiles
CC1C2CCC3C2(CCC4C3CCC5C4(CCC(C5)N(C)C)C)CN1C
Mol Log P
4.889500000000005
In Ch Ikey
ZUKZAQFFEBCYLE-HTDSQAANSA-N
Num Hdonors
0
Drug Likeness
0.658
Num Hacceptors
2
Isomeric Smiles
C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C
Canonical Smiles
CC1C2CCC3C2(CCC4C3CCC5C4(CCC(C5)N(C)C)C)CN1C
Herb Alias Names
SCHEMBL24481412
Molecular Weight
358.330
Molecular Weight
358.6 g/mol
Molecular Formula
C24H42N2
Molecular Formula
C24H42N2
Molecular Formula
C24H42N2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.812
Quantitative Estimate Of Drug Likeness（Qed）
0.658