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
- 37461
- Core Entity Id
- 56284
- Source Entity Count
- 1
- Preferred Name
- 10-deactyl taxinine b
- Name En
- Pubchem Id
- 163090829
- Smiles Canonical
- C=C1[C@@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
- Molecular Formula
- C35H42O10
- Molecular Weight
- 622.2800
- Inchikey
- TUEORTUUXYOYDZ-CQMAHQDDSA-N
- Inchi
- InChI=1S/C35H42O10/c1-18-25(39)16-24-32(43-21(4)37)30-19(2)26(45-28(40)15-14-23-12-10-9-11-13-23)17-27(42-20(3)36)35(30,8)33(44-22(5)38)31(41)29(18)34(24,6)7/h9-15,24,26-27,30-33,41H,2,16-17H2,1,3-8H3/b15-14-/t24-,26+,27+,30+,31-,32-,33+,35-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.5000
- Num H Donors
- 1
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 143.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
10-Deactyl taxinine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-Deactyl taxinine B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
10-deactyl taxinine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
10-deactyl taxinine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
紫杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Yew
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
紫杉ZI SHANJapanese Yew
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000094
Tcmid
30478
Tcmbank
TCMBANKIN045039
Etcm Ingredient
10-Deactyl taxinine B
Itcmdb Generated
ITX-INGREDIENT-FEBA2BA077ED
Attributes
Merged source attributes and domain-specific metadata.
Smiles
[C@@]12(C([H])([H])[H])[C@]([H])([C@]([H])(OC(=O)C([H])([H])[H])[C@]3([H])C(C([H])([H])[H])(C([H])([H])[H])C(=C(C([H])([H])[H])C(=O)C3([H])[H])[C@@]([H])(O[H])[C@]1([H])OC(=O)C([H])([H])[H])C(=C([H])[
H])[C@@]([H])(OC(=O)\C([H])=C([H])/c4c([H])c([H])c([H])c([H])c4[H])C([H])([H])[C@]2([H])OC(=O)C([H])([H])[H]
Tcm Name
紫杉
Tcm Name2
ZI SHAN
Mol2 Path
/TCM_database/2003_3d_all/1986.mol2
Reference
291, 662
Tcm Name En
Japanese Yew
Molecular Weight
622.280
Molecular Formula
C35H42O10
Molecular Formula
C35H42O10
Molecular Formula
C35H42O10
Fda Maximum Daily Dose (Fdamdd)
0.921
Quantitative Estimate Of Drug Likeness（Qed）
0.194