Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15067
- Core Entity Id
- 19912
- Source Entity Count
- 1
- Preferred Name
- Conamine
- Name En
- Pubchem Id
- 5317060
- Smiles Canonical
- CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N)C)CN1C
- Molecular Formula
- C22H36N2
- Molecular Weight
- 328.5440
- Inchikey
- MDZRHDNUSKCTSP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H36N2/c1-14-18-6-7-20-17-5-4-15-12-16(23)8-10-21(15,2)19(17)9-11-22(18,20)13-24(14)3/h4,14,16-20H,5-13,23H2,1-3H3
- Isomeric Smiles
- CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N)C)CN1C
- Cas Id
- Ob Score
- Mol Logp
- 4.2067
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Conamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Conamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Conamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
conamine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021327
Npass
NPC89872
Tcmid
3959
Pub Chem
5317060
Tcmbank
TCMBANKIN027850
Etcm Ingredient
Conamine
Itcmdb Generated
ITX-INGREDIENT-F5420AD2D2E3
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H36N2/c1-14-18-6-7-20-17-5-4-15-12-16(23)8-10-21(15,2)19(17)9-11-22(18,20)13-24(14)3/h4,14,16-20H,5-13,23H2,1-3H3
Mol Wt
328.5440000000001
Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N)C)CN1C
Mol Log P
4.206700000000003
In Ch Ikey
MDZRHDNUSKCTSP-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.675
Num Hacceptors
2
Isomeric Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N)C)CN1C
Canonical Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N)C)CN1C
Molecular Weight
328.290
Molecular Formula
C22H36N2
Molecular Formula
C22H36N2
Molecular Formula
C22H36N2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.886
Quantitative Estimate Of Drug Likeness（Qed）
0.675