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
- 36019
- Core Entity Id
- 43226
- Source Entity Count
- 1
- Preferred Name
- Turpinionoside e
- Name En
- Pubchem Id
- 10937964
- Smiles Canonical
- CC1=C(C(C(CC1=O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CCC(C)O
- Molecular Formula
- C19H32O8
- Molecular Weight
- 388.4570
- Inchikey
- AJXYNZCNGHTKHQ-NBBQBKSFSA-N
- Inchi
- InChI=1S/C19H32O8/c1-9(21)5-6-11-10(2)12(22)7-14(19(11,3)4)27-18-17(25)16(24)15(23)13(8-20)26-18/h9,13-18,20-21,23-25H,5-8H2,1-4H3/t9-,13-,14+,15-,16+,17-,18+/m1/s1
- Isomeric Smiles
- CC1=C(C([C@H](CC1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)CC[C@@H](C)O
- Cas Id
- Ob Score
- Mol Logp
- -0.3520
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Turpinionoside E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Turpinionoside e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Turpinionoside e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
三出山香圆*
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SAN CHU SHAN XIANG YUAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Threeleaf Turpinia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
三出山香圆*SAN CHU SHAN XIANG YUANThreeleaf Turpinia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047384
Npass
NPC108036
Tcmid
22113
Pub Chem
10937964
Tcmbank
TCMBANKIN041962
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H32O8/c1-9(21)5-6-11-10(2)12(22)7-14(19(11,3)4)27-18-17(25)16(24)15(23)13(8-20)26-18/h9,13-18,20-21,23-25H,5-8H2,1-4H3/t9-,13-,14+,15-,16+,17-,18+/m1/s1
Mol Wt
388.4570000000002
Mol Log P
-0.352
In Ch Ikey
AJXYNZCNGHTKHQ-NBBQBKSFSA-N
Tcm Name
三出山香圆*
Tcm Name2
SAN CHU SHAN XIANG YUAN
Mol2 Path
/TCM_database/2007_3d_all/22129.mol2
Reference
4188
Num Hdonors
5
Tcm Name En
Threeleaf Turpinia
Drug Likeness
0.416
Num Hacceptors
8
Isomeric Smiles
CC1=C(C([C@H](CC1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)CC[C@@H](C)O
Canonical Smiles
CC1=C(C(C(CC1=O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CCC(C)O
Molecular Weight
388.5 g/mol
Molecular Formula
C19H32O8
Num Rotatable Bonds
6