Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36096
- Core Entity Id
- 43312
- Source Entity Count
- 1
- Preferred Name
- Ugonin k
- Name En
- Pubchem Id
- 10365740
- Smiles Canonical
- CC1(CCCC(=C)C1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)OC)C
- Molecular Formula
- C26H28O6
- Molecular Weight
- 436.5040
- Inchikey
- ROCKAKPPZWGROR-KRWDZBQOSA-N
- Inchi
- InChI=1S/C26H28O6/c1-14-6-5-9-26(2,3)17(14)11-16-22(31-4)13-23-24(25(16)30)20(29)12-21(32-23)15-7-8-18(27)19(28)10-15/h7-8,10,12-13,17,27-28,30H,1,5-6,9,11H2,2-4H3/t17-/m0/s1
- Isomeric Smiles
- CC1(CCCC(=C)[C@@H]1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 5.5104
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ugonin K
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ugonin k
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ugonin k
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
入地蜈蚣
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RU DI WU GONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ceylan Helminthostachys
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5-hydroxy-7-methoxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5-hydroxy-7-methoxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4088548
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4088548
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL19665236
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL19665236
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
入地蜈蚣RU DI WU GONGCeylan Helminthostachys2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5-hydroxy-7-methoxychromen-4-oneCHEMBL4088548SCHEMBL19665236
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047472
Npass
NPC297212
Tcmid
22168
Pub Chem
1036574012114698
Tcmbank
TCMBANKIN048413
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H28O6/c1-14-6-5-9-26(2,3)17(14)11-16-22(31-4)13-23-24(25(16)30)20(29)12-21(32-23)15-7-8-18(27)19(28)10-15/h7-8,10,12-13,17,27-28,30H,1,5-6,9,11H2,2-4H3/t17-/m0/s1
Mol Wt
436.5040000000002
Mol Log P
5.510400000000007
In Ch Ikey
ROCKAKPPZWGROR-KRWDZBQOSA-N
Tcm Name
入地蜈蚣
Tcm Name2
RU DI WU GONG
Mol2 Path
/TCM_database/2007_3d_all/22184.mol2
Reference
3484
Num Hdonors
3
Tcm Name En
Ceylan Helminthostachys
Drug Likeness
0.368
Num Hacceptors
6
Isomeric Smiles
CC1(CCCC(=C)[C@@H]1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)OC)C
Canonical Smiles
CC1(CCCC(=C)C1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)OC)C
Herb Alias Names
CHEMBL4088548SCHEMBL196652362-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5-hydroxy-7-methoxychromen-4-one
Molecular Weight
436.5 g/mol
Molecular Formula
C26H28O6
Num Rotatable Bonds
4