Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36016
- Core Entity Id
- 43222
- Source Entity Count
- 1
- Preferred Name
- Turpinionoside b
- Name En
- Pubchem Id
- 101165165
- Smiles Canonical
- CC1CC(CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O
- Molecular Formula
- C19H34O8
- Molecular Weight
- 390.4730
- Inchikey
- MRPDHXXPDCVBPQ-BBGWOQPJSA-N
- Inchi
- InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)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[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C)C)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 B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Turpinionoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Turpinionoside b
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
Name
820986-53-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
820986-53-6
Role
alias
Source
HERB_v2
Preferred
No
Name
Lauroside D
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lauroside D
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
三出山香圆*SAN CHU SHAN XIANG YUANThreeleaf Turpinia820986-53-6Lauroside D
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047381
Npass
NPC76020
Tcmid
22110
Pub Chem
101165165
Tcmbank
TCMBANKIN042929
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)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
-0.7042999999999988
In Ch Ikey
MRPDHXXPDCVBPQ-BBGWOQPJSA-N
Tcm Name
三出山香圆*
Tcm Name2
SAN CHU SHAN XIANG YUAN
Mol2 Path
/TCM_database/2007_3d_all/22126.mol2
Reference
2583, 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[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(C)C)O
Canonical Smiles
CC1CC(CC(C1(C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C)O
Herb Alias Names
Lauroside D820986-53-6
Molecular Weight
390.5 g/mol
Molecular Formula
C19H34O8
Num Rotatable Bonds
5