Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14815
- Core Entity Id
- 19631
- Source Entity Count
- 1
- Preferred Name
- Clausenatine a
- Name En
- Pubchem Id
- 131752937
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)C)C
- Molecular Formula
- C23H25NO2
- Molecular Weight
- 347.4580
- Inchikey
- HYKYGURKMDNXGG-WJDWOHSUSA-N
- Inchi
- InChI=1S/C23H25NO2/c1-15(2)7-6-8-16(3)11-12-19-22-20(13-17(14-25)23(19)26)18-9-4-5-10-21(18)24-22/h4-5,7,9-11,13-14,24,26H,6,8,12H2,1-3H3/b16-11-
- Isomeric Smiles
- CC(=CCC/C(=C\CC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.0744
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Clausenatine A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Clausenatine A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Clausenatine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Clausenatine a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
山黄皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN HUANG PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hollowed Wampee
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1-(3,7-Dimethyl-2,6-octadienyl)-2-hydroxy-9H-carbazole-3-carboxaldehyde, 9CI
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(3,7-Dimethyl-2,6-octadienyl)-2-hydroxy-9H-carbazole-3-carboxaldehyde, 9CI
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Formyl-1-geranyl-2-hydroxycarbazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Formyl-1-geranyl-2-hydroxycarbazole
Role
alias
Source
HERB_v2
Preferred
No
Name
Mukoenine B
Role
alias
Source
HERB_v2
Preferred
No
Name
Mukoenine B
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山黄皮SHAN HUANG PIHollowed Wampee1-(3,7-Dimethyl-2,6-octadienyl)-2-hydroxy-9H-carbazole-3-carboxaldehyde, 9CI3-Formyl-1-geranyl-2-hydroxycarbazoleMukoenine B
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021040
Tcmid
3790
Pub Chem
131752937134816369
Tcmbank
TCMBANKIN047039
Etcm Ingredient
Clausenatine A
Itcmdb Generated
ITX-INGREDIENT-7846F8DBD94A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H25NO2/c1-15(2)7-6-8-16(3)11-12-19-22-20(13-17(14-25)23(19)26)18-9-4-5-10-21(18)24-22/h4-5,7,9-11,13-14,24,26H,6,8,12H2,1-3H3/b16-11-
Mol Wt
347.4580000000001
Mol Log P
6.074400000000005
In Ch Ikey
HYKYGURKMDNXGG-WJDWOHSUSA-N
Tcm Name
山黄皮
Tcm Name2
SHAN HUANG PI
Mol2 Path
/TCM_database/2007_3d_all/03790.mol2
Reference
2368
Num Hdonors
2
Tcm Name En
Hollowed Wampee
Drug Likeness
0.42
Num Hacceptors
2
Isomeric Smiles
CC(=CCC/C(=C\CC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C(=CC2=C1NC3=CC=CC=C32)C=O)O)C)C
Herb Alias Names
Mukoenine B3-Formyl-1-geranyl-2-hydroxycarbazole1-(3,7-Dimethyl-2,6-octadienyl)-2-hydroxy-9H-carbazole-3-carboxaldehyde, 9CI
Molecular Weight
347.190
Molecular Weight
349.5 g/mol
Molecular Formula
C23H25NO2
Molecular Formula
C23H25NO2
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.925
Quantitative Estimate Of Drug Likeness（Qed）
0.420