Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7524
- Core Entity Id
- 11544
- Source Entity Count
- 1
- Preferred Name
- 6beta-dihydrocornicacid
- Name En
- Pubchem Id
- 102019700
- Smiles Canonical
- CC1CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O
- Molecular Formula
- C16H24O10
- Molecular Weight
- 376.3580
- Inchikey
- YQLBRAQABHCUCV-JCUQURLMSA-N
- Inchi
- InChI=1S/C16H24O10/c1-5-2-7(18)10-6(14(22)23)4-24-15(9(5)10)26-16-13(21)12(20)11(19)8(3-17)25-16/h4-5,7-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,7+,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1
- Isomeric Smiles
- C[C@H]1C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.2392
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-beta-Dihydrocornic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6beta-dihydrocornicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6beta-dihydrocornicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6α-dihydrocornicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-alpha-Dihydrocornic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6alpha-dihydrocornicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
6-beta-Dihydrocornic acid6α-dihydrocornicacid6-alpha-Dihydrocornic acid6alpha-dihydrocornicacid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012264HBIN012200
Npass
NPC266032NPC110621
Tcmid
55675566
Pub Chem
102019700102019699
Tcmbank
TCMBANKIN028714TCMBANKIN060404
Etcm Ingredient
6-beta-Dihydrocornic acid6-alpha-Dihydrocornic acid
Itcmdb Generated
ITX-INGREDIENT-0CDBA88B898DITX-INGREDIENT-391260D0ABB5ITX-INGREDIENT-6624E68B11DC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H24O10/c1-5-2-7(18)10-6(14(22)23)4-24-15(9(5)10)26-16-13(21)12(20)11(19)8(3-17)25-16/h4-5,7-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,7+,8+,9+,10-,11+,12-,13+,15-,16-/m0/s1
Mol Wt
376.3580000000001
Smiles
CC1CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O
Mol Log P
-2.239199999999998
In Ch Ikey
YQLBRAQABHCUCV-JCUQURLMSA-N
Tcm Name
鸡嗉子
Tcm Name2
JI SU ZI
Mol2 Path
/TCM_database/2007_3d_all/05567.mol2
Reference
5177
Num Hdonors
6
Tcm Name En
Evergreen Dogwood
Drug Likeness
0.316
Num Hacceptors
9
Isomeric Smiles
C[C@H]1C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Canonical Smiles
CC1CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O
Molecular Weight
376.140
Molecular Formula
C16H24O10
Molecular Formula
C16H24O10
Molecular Formula
C16H24O10
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.316