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
- 24031
- Core Entity Id
- 29895
- Source Entity Count
- 1
- Preferred Name
- Kweichowenol a
- Name En
- Pubchem Id
- 102351124
- Smiles Canonical
- CC1(OCC2(O1)C(C=CC(C2O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C
- Molecular Formula
- C24H24O7
- Molecular Weight
- 424.4490
- Inchikey
- GUXOSGKSWVTZQO-FDGPYGQJSA-N
- Inchi
- InChI=1S/C24H24O7/c1-23(2)28-15-24(31-23)19(30-22(27)17-11-7-4-8-12-17)14-13-18(20(24)25)29-21(26)16-9-5-3-6-10-16/h3-14,18-20,25H,15H2,1-2H3/t18-,19-,20+,24+/m1/s1
- Isomeric Smiles
- CC1(OC[C@]2(O1)[C@@H](C=C[C@H]([C@@H]2O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C
- Cas Id
- Ob Score
- Mol Logp
- 2.8900
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kweichowenol A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Kweichowenol a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Kweichowenol a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
瘤果紫玉盘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LIU GUO ZI YU PAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kweichou Uvaria
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
瘤果紫玉盘LIU GUO ZI YU PANKweichou Uvaria
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032449
Tcmid
12392
Pub Chem
102351124
Tcmbank
TCMBANKIN045709
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H24O7/c1-23(2)28-15-24(31-23)19(30-22(27)17-11-7-4-8-12-17)14-13-18(20(24)25)29-21(26)16-9-5-3-6-10-16/h3-14,18-20,25H,15H2,1-2H3/t18-,19-,20+,24+/m1/s1
Mol Wt
424.4490000000001
Mol Log P
2.890000000000001
In Ch Ikey
GUXOSGKSWVTZQO-FDGPYGQJSA-N
Tcm Name
瘤果紫玉盘
Tcm Name2
LIU GUO ZI YU PAN
Mol2 Path
/TCM_database/2007_3d_all/12397.mol2
Reference
4480
Num Hdonors
1
Tcm Name En
Kweichou Uvaria
Drug Likeness
0.596
Num Hacceptors
7
Isomeric Smiles
CC1(OC[C@]2(O1)[C@@H](C=C[C@H]([C@@H]2O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C
Canonical Smiles
CC1(OCC2(O1)C(C=CC(C2O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C
Molecular Weight
424.4 g/mol
Molecular Formula
C24H24O7
Num Rotatable Bonds
4