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
- 17106
- Core Entity Id
- 22184
- Source Entity Count
- 1
- Preferred Name
- Dihydroconcuressine
- Name En
- Pubchem Id
- 102093823
- Smiles Canonical
- C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@]2([C@@]([H])([C@@]([H])(C([H])([H])[H])N(C([H])([H])[H])C2([H])[H])C([H])([H])C3([H])[H])[C@]34[H])[C@@]4([H])C([H])([H ])C5([H])[H])[C@]5([H])C([H])([H])[C@@]1([H])N(C([H])([H])[H])C([H])([H])[H]
- Molecular Formula
- C24H42N2
- Molecular Weight
- 358.6140
- Inchikey
- ZUKZAQFFEBCYLE-HMSQGDENSA-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
Dihydroconcuressine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihydroconcuressine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dihydroconcuressine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dihydroconcuressine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
dihydroconessine;dihydroconcuressine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
止泻木皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHI XIE MU PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Droughtdysentery Holarrhena Bark
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
dihydroconessine;dihydroconcuressine止泻木皮ZHI XIE MU PIDroughtdysentery Holarrhena Bark
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023843
Npass
NPC298791
Tcmid
5561
Pub Chem
102093823
Tcmbank
TCMBANKIN053211TCMBANKIN060384
Etcm Ingredient
Dihydroconcuressine
Itcmdb Generated
ITX-INGREDIENT-3181848CA5CFITX-INGREDIENT-B7F74943E87F
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
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@]2([C@@]([H])([C@@]([H])(C([H])([H])[H])N(C([H])([H])[H])C2([H])[H])C([H])([H])C3([H])[H])[C@]34[H])[C@@]4([H])C([H])([H
])C5([H])[H])[C@]5([H])C([H])([H])[C@@]1([H])N(C([H])([H])[H])C([H])([H])[H]CC1C2CCC3C2(CCC4C3CCC5C4(CCC(C5)N(C)C)C)CN1C
Mol Log P
4.889500000000005
In Ch Ikey
ZUKZAQFFEBCYLE-HMSQGDENSA-N
Tcm Name
止泻木皮
Tcm Name2
ZHI XIE MU PI
Mol2 Path
/TCM_database/2003_3d_all/2314.mol2
Reference
6
Num Hdonors
0
Tcm Name En
Droughtdysentery Holarrhena Bark
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
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)
0.446
Quantitative Estimate Of Drug Likeness（Qed）
0.658