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
- 36095
- Core Entity Id
- 43311
- Source Entity Count
- 1
- Preferred Name
- Ugonin j
- Name En
- Pubchem Id
- 12114697
- Smiles Canonical
- CC1(CCCC(=C)C1CC2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)C
- Molecular Formula
- C25H26O6
- Molecular Weight
- 422.4770
- Inchikey
- VCPZVNMTXCALPA-MRXNPFEDSA-N
- Inchi
- InChI=1S/C25H26O6/c1-13-5-4-8-25(2,3)16(13)10-15-18(27)11-22-23(24(15)30)20(29)12-21(31-22)14-6-7-17(26)19(28)9-14/h6-7,9,11-12,16,26-28,30H,1,4-5,8,10H2,2-3H3/t16-/m1/s1
- Isomeric Smiles
- CC1(CCCC(=C)[C@H]1CC2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.2074
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ugonin J
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ugonin j
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ugonin j
Role
preferred
Source
HERB_v2
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)-5,7-dihydroxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5,7-dihydroxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
651304-96-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
651304-96-0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL560915
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL560915
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)-5,7-dihydroxychromen-4-one2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5,7-dihydroxychromen-4-one651304-96-0CHEMBL560915
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047471
Npass
NPC46736
Tcmid
22167
Pub Chem
12114697
Tcmbank
TCMBANKIN047707
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H26O6/c1-13-5-4-8-25(2,3)16(13)10-15-18(27)11-22-23(24(15)30)20(29)12-21(31-22)14-6-7-17(26)19(28)9-14/h6-7,9,11-12,16,26-28,30H,1,4-5,8,10H2,2-3H3/t16-/m1/s1
Mol Wt
422.4770000000001
Mol Log P
5.207400000000007
In Ch Ikey
VCPZVNMTXCALPA-MRXNPFEDSA-N
Tcm Name
入地蜈蚣
Tcm Name2
RU DI WU GONG
Mol2 Path
/TCM_database/2007_3d_all/22183.mol2
Reference
3484
Num Hdonors
4
Tcm Name En
Ceylan Helminthostachys
Drug Likeness
0.341
Num Hacceptors
6
Isomeric Smiles
CC1(CCCC(=C)[C@H]1CC2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)C
Canonical Smiles
CC1(CCCC(=C)C1CC2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)C
Herb Alias Names
2-(3,4-dihydroxyphenyl)-6-(((1R)-2,2-dimethyl-6-methylidenecyclohexyl)methyl)-5,7-dihydroxychromen-4-one2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5,7-dihydroxychromen-4-oneCHEMBL560915651304-96-0
Molecular Weight
422.5 g/mol
Molecular Formula
C25H26O6
Num Rotatable Bonds
3