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
- 19856
- Core Entity Id
- 25252
- Source Entity Count
- 1
- Preferred Name
- Garajonone
- Name En
- Pubchem Id
- 101093084
- Smiles Canonical
- CC1CC23C(CC1=O)(C4(CC(O2)(C5(C3(C4(C(C5(C(C)C)O)OC(=O)C)O)O)C)O)C)O
- Molecular Formula
- C22H32O9
- Molecular Weight
- 440.4890
- Inchikey
- VQIXTEBDQIBFTP-TXJORZTCSA-N
- Inchi
- InChI=1S/C22H32O9/c1-10(2)20(27)14(30-12(4)23)21(28)15(5)9-19(26)16(20,6)22(21,29)18(31-19)7-11(3)13(24)8-17(15,18)25/h10-11,14,25-29H,7-9H2,1-6H3/t11-,14-,15+,16+,17+,18-,19+,20-,21-,22+/m1/s1
- Isomeric Smiles
- C[C@@H]1C[C@]23[C@](CC1=O)([C@@]4(C[C@](O2)([C@@]5([C@]3([C@]4([C@@H]([C@@]5(C(C)C)O)OC(=O)C)O)O)C)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- -0.6014
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Garajonone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Garajonone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Garajonone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
印度鳄梨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN DU E LI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indian Avocado*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
印度鳄梨YIN DU E LIIndian Avocado*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027332
Npass
NPC160023
Tcmid
8200
Pub Chem
101093084
Tcmbank
TCMBANKIN041578
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H32O9/c1-10(2)20(27)14(30-12(4)23)21(28)15(5)9-19(26)16(20,6)22(21,29)18(31-19)7-11(3)13(24)8-17(15,18)25/h10-11,14,25-29H,7-9H2,1-6H3/t11-,14-,15+,16+,17+,18-,19+,20-,21-,22+/m1/s1
Mol Wt
440.4890000000001
Mol Log P
-0.6013999999999993
In Ch Ikey
VQIXTEBDQIBFTP-TXJORZTCSA-N
Tcm Name
印度鳄梨
Tcm Name2
YIN DU E LI
Mol2 Path
/TCM_database/2007_3d_all/08201.mol2
Reference
5128
Num Hdonors
5
Tcm Name En
Indian Avocado*
Drug Likeness
0.354
Num Hacceptors
9
Isomeric Smiles
C[C@@H]1C[C@]23[C@](CC1=O)([C@@]4(C[C@](O2)([C@@]5([C@]3([C@]4([C@@H]([C@@]5(C(C)C)O)OC(=O)C)O)O)C)O)C)O
Canonical Smiles
CC1CC23C(CC1=O)(C4(CC(O2)(C5(C3(C4(C(C5(C(C)C)O)OC(=O)C)O)O)C)O)C)O
Molecular Weight
440.5 g/mol
Molecular Formula
C22H32O9
Num Rotatable Bonds
2