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
- 36015
- Core Entity Id
- 43221
- Source Entity Count
- 1
- Preferred Name
- Turpinionoside a
- Name En
- Pubchem Id
- 11760952
- Smiles Canonical
- CC1CC(CC(C1(C=CC(C)O)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O
- Molecular Formula
- C19H34O8
- Molecular Weight
- 390.4730
- Inchikey
- KAZMSBSNWWWNPL-BBGWOQPJSA-N
- Inchi
- InChI=1S/C19H34O8/c1-10-7-12(8-18(3,4)19(10,25)6-5-11(2)21)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13-,14-,15+,16-,17-,19-/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@@H](CC([C@]1(/C=C/[C@H](C)O)O)(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.7043
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Turpinionoside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Turpinionoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Turpinionoside a
Role
preferred
Source
itcmdb_public
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
HBIN047380
Npass
NPC46562
Tcmid
22109
Pub Chem
11760952
Tcmbank
TCMBANKIN048433
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H34O8/c1-10-7-12(8-18(3,4)19(10,25)6-5-11(2)21)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+/t10-,11+,12+,13-,14-,15+,16-,17-,19-/m1/s1
Mol Wt
390.4730000000001
Mol Log P
-0.7042999999999997
In Ch Ikey
KAZMSBSNWWWNPL-BBGWOQPJSA-N
Tcm Name
三出山香圆*
Tcm Name2
SAN CHU SHAN XIANG YUAN
Mol2 Path
/TCM_database/2007_3d_all/22125.mol2
Reference
4188
Num Hdonors
6
Tcm Name En
Threeleaf Turpinia
Drug Likeness
0.339
Num Hacceptors
8
Isomeric Smiles
C[C@@H]1C[C@@H](CC([C@]1(/C=C/[C@H](C)O)O)(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Canonical Smiles
CC1CC(CC(C1(C=CC(C)O)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O
Molecular Formula
C19H34O8
Num Rotatable Bonds
5