Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Target: 13Links: 21
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15084
- Core Entity Id
- 19931
- Source Entity Count
- 1
- Preferred Name
- Conessine
- Name En
- Pubchem Id
- 441082
- Smiles Canonical
- CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N(C)C)C)CN1C
- Molecular Formula
- C24H40N2
- Molecular Weight
- 356.5980
- Inchikey
- GPLGAQQQNWMVMM-MYAJQUOBSA-N
- Inchi
- InChI=1S/C24H40N2/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/h6,16,18-22H,7-15H2,1-5H3/t16-,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=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C
- Cas Id
- 546-06-5
- Ob Score
- Mol Logp
- 4.8096
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Conessine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Conessine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Conessine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
conessine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
546-06-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
546-06-5
Role
alias
Source
HERB_v2
Preferred
No
Name
Conessin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Conessin
Role
alias
Source
HERB_v2
Preferred
No
Name
Conessine [INN]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Conessine [INN]
Role
alias
Source
HERB_v2
Preferred
No
Name
Conessinum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Conessinum
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00016752
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00016752
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 119994
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 119994
Role
alias
Source
HERB_v2
Preferred
No
Name
Neriine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Neriine
Role
alias
Source
HERB_v2
Preferred
No
Name
Roquessine
Role
alias
Source
HERB_v2
Preferred
No
Name
Roquessine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Wrightine
Role
alias
Source
HERB_v2
Preferred
No
Name
Wrightine
Role
alias
Source
itcmdb_public
Preferred
No
Name
短绒毛止泻木;繁花止泻木;非洲止泻木;刚果河止泻木;退热止泻木;温柔止泻木;沃氏止泻木;止泻木皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DUAN ROU MAO ZHI XIE MU;FAN HUA ZHI XIE MU;FEI ZHOU ZHI XIE MU;GANG GUO HE ZHI XIE MU;TUI RE ZHI XIE MU;WEN ROU ZHI XIE MU;WO SHI ZHI XIE MU;ZHI XIE MU PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shortfluff Holarrhena*;Purplequeen Holarrhena*;African Holarrhena*;Congo Holarrhena*;Febrifuge Holarrhena*;Suave Holarrhena* ;Waltsberg Holarrhena*;Droughtdysentery Holarrhena Bark
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
546-06-5ConessinConessine [INN]ConessinumMFCD00016752NSC 119994NeriineRoquessineWrightine短绒毛止泻木;繁花止泻木;非洲止泻木;刚果河止泻木;退热止泻木;温柔止泻木;沃氏止泻木;止泻木皮DUAN ROU MAO ZHI XIE MU;FAN HUA ZHI XIE MU;FEI ZHOU ZHI XIE MU;GANG GUO HE ZHI XIE MU;TUI RE ZHI XIE MU;WEN ROU ZHI XIE MU;WO SHI ZHI XIE MU;ZHI XIE MU PIShortfluff Holarrhena*;Purplequeen Holarrhena*;African Holarrhena*;Congo Holarrhena*;Febrifuge Holarrhena*;Suave Holarrhena* ;Waltsberg Holarrhena*;Droughtdysentery Holarrhena Bark
Cross References
Trusted external identifiers retained for this final record.
Cas
546-06-5
Herb
HBIN021342
Npass
NPC7214
Tcmid
3968
Tcm Id
219675518
Pub Chem
441082
Tcmbank
TCMBANKIN018118TCMBANKIN055486
Etcm Ingredient
Conessine
Itcmdb Generated
ITX-INGREDIENT-9AACE8AABDD3ITX-INGREDIENT-E984916EB200
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H40N2/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/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1
Mol Wt
356.5980000000001
Cas Id
546-06-5
Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N(C)C)C)CN1C
Mol Log P
4.809600000000005
In Ch Ikey
GPLGAQQQNWMVMM-MYAJQUOBSA-N
Tcm Name
短绒毛止泻木;繁花止泻木;非洲止泻木;刚果河止泻木;退热止泻木;温柔止泻木;沃氏止泻木;止泻木皮
Tcm Name2
DUAN ROU MAO ZHI XIE MU;FAN HUA ZHI XIE MU;FEI ZHOU ZHI XIE MU;GANG GUO HE ZHI XIE MU;TUI RE ZHI XIE MU;WEN ROU ZHI XIE MU;WO SHI ZHI XIE MU;ZHI XIE MU PI
Mol2 Path
/TCM_database/2003_3d_all/1587.mol2
Reference
4, 6, 658
Num Hdonors
0
Tcm Name En
Shortfluff Holarrhena*;Purplequeen Holarrhena*;African Holarrhena*;Congo Holarrhena*;Febrifuge Holarrhena*;Suave Holarrhena* ;Waltsberg Holarrhena*;Droughtdysentery Holarrhena Bark
Drug Likeness
0.622
Num Hacceptors
2
Isomeric Smiles
C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C
Canonical Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)N(C)C)C)CN1C
Herb Alias Names
546-06-5RoquessineNeriineWrightineConessinumConessinConessine [INN]NSC 119994MFCD00016752
Molecular Weight
356.320
Molecular Weight
356.59
Molecular Formula
C24H40N2
Molecular Formula
C24H40N2
Molecular Formula
C24H40N2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.898
Quantitative Estimate Of Drug Likeness（Qed）
0.622