Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30243
- Core Entity Id
- 36800
- Source Entity Count
- 1
- Preferred Name
- Plumbaside a
- Name En
- Pubchem Id
- 14482771
- Smiles Canonical
- CC1=CC(=C2C(=C1O)C=CC=C2O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C17H20O8
- Molecular Weight
- 352.3390
- Inchikey
- MRLGZVFLBTWJSX-ZQOQDGPXSA-N
- Inchi
- InChI=1S/C17H20O8/c1-7-5-10(12-8(13(7)20)3-2-4-9(12)19)24-17-16(23)15(22)14(21)11(6-18)25-17/h2-5,11,14-23H,6H2,1H3/t11-,14-,15+,16-,17-/m1/s1
- Isomeric Smiles
- CC1=CC(=C2C(=C1O)C=CC=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.2619
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Plumbaside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Plumbaside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Plumbaside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
中间茅膏菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHONG JIAN MAO GAO CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Intermediate Sundew*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
中间茅膏菜ZHONG JIAN MAO GAO CAIIntermediate Sundew*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040267
Npass
NPC153410
Tcmid
17555
Pub Chem
14482771
Tcmbank
TCMBANKIN038767
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H20O8/c1-7-5-10(12-8(13(7)20)3-2-4-9(12)19)24-17-16(23)15(22)14(21)11(6-18)25-17/h2-5,11,14-23H,6H2,1H3/t11-,14-,15+,16-,17-/m1/s1
Mol Wt
352.3390000000001
Mol Log P
-0.2618800000000008
In Ch Ikey
MRLGZVFLBTWJSX-ZQOQDGPXSA-N
Tcm Name
中间茅膏菜
Tcm Name2
ZHONG JIAN MAO GAO CAI
Mol2 Path
/TCM_database/2007_3d_all/17569.mol2
Reference
3738, 3739, 3740, 3741
Num Hdonors
6
Tcm Name En
Intermediate Sundew*
Drug Likeness
0.444
Num Hacceptors
8
Isomeric Smiles
CC1=CC(=C2C(=C1O)C=CC=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Canonical Smiles
CC1=CC(=C2C(=C1O)C=CC=C2O)OC3C(C(C(C(O3)CO)O)O)O
Molecular Weight
352.3 g/mol
Molecular Formula
C17H20O8
Num Rotatable Bonds
3