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
- 2718
- Core Entity Id
- 6209
- Source Entity Count
- 1
- Preferred Name
- (+)-(2's,3'r)-3'-hydroxyprantschimgin
- Name En
- Pubchem Id
- 14776079
- Smiles Canonical
- CC(=CC(=O)OC(C)(C)C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C
- Molecular Formula
- C19H20O6
- Molecular Weight
- 344.3630
- Inchikey
- SNFLZDCWVBLUKZ-MSOLQXFVSA-N
- Inchi
- InChI=1S/C19H20O6/c1-10(2)7-16(21)25-19(3,4)18-17(22)12-8-11-5-6-15(20)23-13(11)9-14(12)24-18/h5-9,17-18,22H,1-4H3/t17-,18+/m1/s1
- Isomeric Smiles
- CC(=CC(=O)OC(C)(C)[C@@H]1[C@@H](C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.8754
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-(2'S,3'R)-3'-Hydroxyprantschimgin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-(2's,3'r)-3'-hydroxyprantschimgin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-(2's,3'r)-3'-hydroxyprantschimgin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
具毛类阿魏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JU MAO LEI A WEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
具毛类阿魏JU MAO LEI A WEI
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006630
Tcmid
10657
Pub Chem
14776079
Tcmbank
TCMBANKIN046257
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H20O6/c1-10(2)7-16(21)25-19(3,4)18-17(22)12-8-11-5-6-15(20)23-13(11)9-14(12)24-18/h5-9,17-18,22H,1-4H3/t17-,18+/m1/s1
Mol Wt
344.3630000000001
Mol Log P
2.875400000000001
In Ch Ikey
SNFLZDCWVBLUKZ-MSOLQXFVSA-N
Tcm Name
具毛类阿魏
Tcm Name2
JU MAO LEI A WEI
Mol2 Path
/TCM_database/2007_3d_all/10658.mol2
Reference
3938
Num Hdonors
1
Drug Likeness
0.523
Num Hacceptors
6
Isomeric Smiles
CC(=CC(=O)OC(C)(C)[C@@H]1[C@@H](C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C
Canonical Smiles
CC(=CC(=O)OC(C)(C)C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C
Molecular Formula
C19H20O6
Num Rotatable Bonds
3