Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1477
- Core Entity Id
- 4832
- Source Entity Count
- 1
- Preferred Name
- 2alpha,10beta-trihydroxy-5alpha-acetoxytaxa-4(20),11-diene
- Name En
- Pubchem Id
- 5322044
- Smiles Canonical
- C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](O)[C@@H]([C@@H](O)[C@H]12)C3(C)C
- Molecular Formula
- C22H34O5
- Molecular Weight
- 378.2400
- Inchikey
- ADIAYVKSTVCWEQ-YIJNTCITSA-N
- Inchi
- InChI=1S/C22H34O5/c1-11-9-14(24)19-20(26)18-12(2)16(27-13(3)23)7-8-22(18,6)10-15(25)17(11)21(19,4)5/h14-16,18-20,24-26H,2,7-10H2,1,3-6H3/t14-,15-,16-,18-,19-,20-,22-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 87.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2alpha,10beta-Trihydroxy-5alpha-acetoxytaxa-4(20),11-diene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2alpha,10beta-Trihydroxy-5alpha-acetoxytaxa-4(20),11-diene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2alpha,10beta-trihydroxy-5alpha-acetoxytaxa-4(20),11-diene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2alpha,10beta-trihydroxy-5alpha-acetoxytaxa-4(20),11-diene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
云南红豆杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUN NAN HONG DOU SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yunnan Yew
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
云南红豆杉YUN NAN HONG DOU SHANYunnan Yew
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005150
Tcmid
32111
Tcmbank
TCMBANKIN044605
Etcm Ingredient
2alpha,10beta-Trihydroxy-5alpha-acetoxytaxa-4(20),11-diene
Itcmdb Generated
ITX-INGREDIENT-616B10B56A0D
Attributes
Merged source attributes and domain-specific metadata.
Smiles
[C@@]1([H])(O[H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C(=C([H])[H])[C@@]([H])(OC(C([H])([H])[H])=O)C([H])([H])C2([H])[H])[C@]([H])(O[H])[C@@]3([H])C(C([H])([H])[H])(C([H])([H])[H])C1=C(C([H])([
H])[H])C([H])([H])[C@]3([H])O[H]
Tcm Name
云南红豆杉
Tcm Name2
YUN NAN HONG DOU SHAN
Mol2 Path
/TCM_database/2003_3d_all/8545.mol2
Reference
662
Tcm Name En
Yunnan Yew
Molecular Weight
378.240
Molecular Formula
C22H34O5
Molecular Formula
C22H34O5
Molecular Formula
C22H34O5
Fda Maximum Daily Dose (Fdamdd)
0.957
Quantitative Estimate Of Drug Likeness（Qed）
0.482