ITCMDBv1
IngredientID 33092

Senegose n

C60H74O34

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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
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
33092
Core Entity Id
39975
Source Entity Count
1
Preferred Name
Senegose n
Name En
Pubchem Id
10057265
Smiles Canonical
CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC=C(C=C6)O)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O
Molecular Formula
C60H74O34
Molecular Weight
1339.2180
Inchikey
VNQMKDAIXQEVQA-YOUFIWLNSA-N
Inchi
InChI=1S/C60H74O34/c1-26(64)81-23-37-50(89-56-47(76)44(73)41(70)34(20-61)84-56)46(75)49(78)58(86-37)90-52-51(88-40(69)18-13-29-11-16-32(67)33(19-29)80-3)38(24-82-27(2)65)87-59(53(52)91-57-48(77)45(74)42(71)35(21-62)85-57)94-60(25-83-39(68)17-12-28-9-14-31(66)15-10-28)54(43(72)36(22-63)93-60)92-55(79)30-7-5-4-6-8-30/h4-19,34-38,41-54,56-59,61-63,66-67,70-78H,20-25H2,1-3H3/b17-12+,18-13-/t34-,35-,36-,37-,38-,41-,42-,43-,44+,45+,46-,47-,48-,49-,50-,51-,52+,53-,54+,56+,57+,58+,59-,60+/m1/s1
Isomeric Smiles
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)/C=C/C6=CC=C(C=C6)O)COC(=O)C)OC(=O)/C=C\C7=CC(=C(C=C7)O)OC)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
Cas Id
Ob Score
Mol Logp
-4.9683
Num H Donors
14
Num H Acceptors
34
Num Rotatable Bonds
25
Drug Likeness
0.0210
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Senegose N
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Senegose n
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Senegose n
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
senegose o;senegose j;senegose n;tenuifoliose b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
美远志
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MEI YUAN ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Senega Snakeroot
Role
TCM_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

senegose o;senegose j;senegose n;tenuifoliose b美远志MEI YUAN ZHISenega Snakeroot

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN043714HBIN043718HBIN043719
Npass
NPC67717
Tcmid
19713
Pub Chem
10057265
Tcmbank
TCMBANKIN019630TCMBANKIN059058
Itcmdb Generated
ITX-INGREDIENT-EA9553DB4E14

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C60H74O34/c1-26(64)81-23-37-50(89-56-47(76)44(73)41(70)34(20-61)84-56)46(75)49(78)58(86-37)90-52-51(88-40(69)18-13-29-11-16-32(67)33(19-29)80-3)38(24-82-27(2)65)87-59(53(52)91-57-48(77)45(74)42(71)35(21-62)85-57)94-60(25-83-39(68)17-12-28-9-14-31(66)15-10-28)54(43(72)36(22-63)93-60)92-55(79)30-7-5-4-6-8-30/h4-19,34-38,41-54,56-59,61-63,66-67,70-78H,20-25H2,1-3H3/b17-12+,18-13-/t34-,35-,36-,37-,38-,41-,42-,43-,44+,45+,46-,47-,48-,49-,50-,51-,52+,53-,54+,56+,57+,58+,59-,60+/m1/s1
Mol Wt
1339.218000000001
Smiles
CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC=C(C=C6)O)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O
Mol Log P
-4.968299999999974
In Ch Ikey
VNQMKDAIXQEVQA-YOUFIWLNSA-N
Tcm Name
美远志
Tcm Name2
MEI YUAN ZHI
Mol2 Path
/TCM_database/2007_3d_all/19728.mol2
Reference
2184
Num Hdonors
14
Tcm Name En
Senega Snakeroot
Drug Likeness
0.021
Num Hacceptors
34
Isomeric Smiles
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)/C=C/C6=CC=C(C=C6)O)COC(=O)C)OC(=O)/C=C\C7=CC(=C(C=C7)O)OC)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
Canonical Smiles
CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC=C(C=C6)O)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)OC)O)O)OC8C(C(C(C(O8)CO)O)O)O
Molecular Weight
1339.21
Molecular Formula
C60H74O34
Molecular Formula
C60H74O34
Num Rotatable Bonds
25