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
- 7939
- Core Entity Id
- 11999
- Source Entity Count
- 1
- Preferred Name
- 6-oxo-iguesterol
- Name En
- Pubchem Id
- 10342107
- Smiles Canonical
- CC1=CCC2(CCC3(C4=CC(=O)C5=C(C(=C(C=C5C4(CCC3(C2C1)C)C)O)O)C)C)C
- Molecular Formula
- C28H36O3
- Molecular Weight
- 420.5930
- Inchikey
- IKNUYEAOUHEBMK-JPJACQMESA-N
- Inchi
- InChI=1S/C28H36O3/c1-16-7-8-25(3)9-11-28(6)22-15-19(29)23-17(2)24(31)20(30)14-18(23)26(22,4)10-12-27(28,5)21(25)13-16/h7,14-15,21,30-31H,8-13H2,1-6H3/t21-,25-,26+,27+,28-/m1/s1
- Isomeric Smiles
- CC1=CC[C@@]2(CC[C@@]3(C4=CC(=O)C5=C(C(=C(C=C5[C@@]4(CC[C@]3([C@@H]2C1)C)C)O)O)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.7494
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Oxo-iguesterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-oxo-iguesterol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6-oxo-iguesterol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
加那利美登木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIA NA LI MEI DENG MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Canari Mayten*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
加那利美登木JIA NA LI MEI DENG MUCanari Mayten*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012737
Tcmid
16348
Pub Chem
10342107
Tcmbank
TCMBANKIN042403
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H36O3/c1-16-7-8-25(3)9-11-28(6)22-15-19(29)23-17(2)24(31)20(30)14-18(23)26(22,4)10-12-27(28,5)21(25)13-16/h7,14-15,21,30-31H,8-13H2,1-6H3/t21-,25-,26+,27+,28-/m1/s1
Mol Wt
420.5930000000002
Mol Log P
6.749420000000008
In Ch Ikey
IKNUYEAOUHEBMK-JPJACQMESA-N
Tcm Name
加那利美登木
Tcm Name2
JIA NA LI MEI DENG MU
Mol2 Path
/TCM_database/2007_3d_all/16359.mol2
Reference
2800
Num Hdonors
2
Tcm Name En
Canari Mayten*
Drug Likeness
0.36
Num Hacceptors
3
Isomeric Smiles
CC1=CC[C@@]2(CC[C@@]3(C4=CC(=O)C5=C(C(=C(C=C5[C@@]4(CC[C@]3([C@@H]2C1)C)C)O)O)C)C)C
Canonical Smiles
CC1=CCC2(CCC3(C4=CC(=O)C5=C(C(=C(C=C5C4(CCC3(C2C1)C)C)O)O)C)C)C
Molecular Weight
420.6 g/mol
Molecular Formula
C28H36O3
Num Rotatable Bonds
0