Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38483
- Core Entity Id
- 65162
- Source Entity Count
- 1
- Preferred Name
- 14-acetyltalatisamine
- Name En
- Pubchem Id
- 13343321
- Smiles Canonical
- CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)C)OC)O)OC)COC
- Molecular Formula
- C26H41NO6
- Molecular Weight
- 463.6800
- Inchikey
- ZHYCSYOPFIUANO-KAJSKAFVSA-N
- Inchi
- InChI=1S/C26H41NO6/c1-6-27-12-24(13-30-3)8-7-20(32-5)26-16-9-15-18(31-4)11-25(29,17(23(26)27)10-19(24)26)21(16)22(15)33-14(2)28/h15-23,29H,6-13H2,1-5H3/t15-,16-,17+,18+,19-,20+,21-,22+,23?,24+,25+,26-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 13.6410
- Mol Logp
- 1.5000
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 77.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
14-Acetyltalatisamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
14-acetyltalatisamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
14-acetyltalatisamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
14-acetyltalatisamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14-acetyltalatisamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001358
Tcmsp
MOL002396
Sym Map
SMIT04647
Tcmbank
TCMBANKIN034990
Etcm Ingredient
14-acetyltalatisamine
Itcmdb Generated
ITX-INGREDIENT-9F7EC2F7E79C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
13.64113.64111913.64111908
Suppress
0
Molecule Weight
463.68
Molecular Weight
463.290
Molecular Weight
463.68
Molecular Formula
C26H41NO6
Fda Maximum Daily Dose (Fdamdd)
0.045
Quantitative Estimate Of Drug Likeness（Qed）
0.605