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
- 34560
- Core Entity Id
- 41609
- Source Entity Count
- 1
- Preferred Name
- Tatsidine
- Name En
- Pubchem Id
- 20056340
- Smiles Canonical
- CCN1CC2(CCC(C34C2CC5(C31)C6(CC(C7CC4C6(C7O)O)OC)OCO5)O)C
- Molecular Formula
- C23H35NO6
- Molecular Weight
- 421.5340
- Inchikey
- ONGBEVLXHZYLKN-JQOLKTKJSA-N
- Inchi
- InChI=1S/C23H35NO6/c1-4-24-10-19(2)6-5-16(25)22-14-7-12-13(28-3)8-21(23(14,27)17(12)26)20(18(22)24,9-15(19)22)29-11-30-21/h12-18,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17+,18?,19+,20-,21+,22-,23+/m1/s1
- Isomeric Smiles
- CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@H]4[C@@]6([C@H]7O)O)OC)OCO5)O)C
- Cas Id
- Ob Score
- Mol Logp
- 0.5001
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tatsidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tatsidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
tatsidine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045572
Tcmid
20710
Pub Chem
20056340
Tcmbank
TCMBANKIN044948
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H35NO6/c1-4-24-10-19(2)6-5-16(25)22-14-7-12-13(28-3)8-21(23(14,27)17(12)26)20(18(22)24,9-15(19)22)29-11-30-21/h12-18,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17+,18?,19+,20-,21+,22-,23+/m1/s1
Mol Wt
421.5340000000002
Smiles
CCN1CC2(CCC(C34C2CC5(C31)C6(CC(C7CC4C6(C7O)O)OC)OCO5)O)C
Mol Log P
0.5001000000000007
In Ch Ikey
ONGBEVLXHZYLKN-JQOLKTKJSA-N
Mol2 Path
/TCM_database/2007_3d_all/20726.mol2
Reference
660
Num Hdonors
3
Drug Likeness
0.598
Num Hacceptors
7
Isomeric Smiles
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@H]4[C@@]6([C@H]7O)O)OC)OCO5)O)C
Canonical Smiles
CCN1CC2(CCC(C34C2CC5(C31)C6(CC(C7CC4C6(C7O)O)OC)OCO5)O)C
Molecular Formula
C23H35NO6
Molecular Formula
C23H35NO6
Num Rotatable Bonds
2