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
- 2041
- Core Entity Id
- 5458
- Source Entity Count
- 1
- Preferred Name
- 2'-hydroxytaxine ii
- Name En
- Pubchem Id
- 10628208
- Smiles Canonical
- CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)CC1=O)OC(=O)C)OC(=O)C(C(C4=CC=CC=C4)N(C)C)O)C)OC(=O)C)OC(=O)C
- Molecular Formula
- C37H49NO10
- Molecular Weight
- 667.7960
- Inchikey
- VOMHMJTXSVWBOE-MYSYOJMRSA-N
- Inchi
- InChI=1S/C37H49NO10/c1-19-26(42)18-25-32(45-21(3)39)29-20(2)27(48-35(44)31(43)30(38(9)10)24-14-12-11-13-15-24)16-17-37(29,8)34(47-23(5)41)33(46-22(4)40)28(19)36(25,6)7/h11-15,25,27,29-34,43H,2,16-18H2,1,3-10H3/t25-,27-,29-,30-,31+,32+,33+,34-,37+/m0/s1
- Isomeric Smiles
- CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)OC(=O)[C@@H]([C@H](C4=CC=CC=C4)N(C)C)O)C)OC(=O)C)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.2749
- Num H Donors
- 1
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2'-Hydroxytaxine II
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2'-Hydroxytaxine II
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2'-hydroxytaxine ii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2'-hydroxytaxine ii
Role
preferred
Source
itcmdb_public
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
HBIN005830HBIN005707
Npass
NPC177861
Tcmid
1073731125
Pub Chem
10628208
Tcmbank
TCMBANKIN002652TCMBANKIN059801
Etcm Ingredient
2'-Hydroxytaxine II
Itcmdb Generated
ITX-INGREDIENT-156CF8A97ECEITX-INGREDIENT-62E877EBCE99
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C37H49NO10/c1-19-26(42)18-25-32(45-21(3)39)29-20(2)27(48-35(44)31(43)30(38(9)10)24-14-12-11-13-15-24)16-17-37(29,8)34(47-23(5)41)33(46-22(4)40)28(19)36(25,6)7/h11-15,25,27,29-34,43H,2,16-18H2,1,3-10H3/t25-,27-,29-,30-,31+,32+,33+,34-,37+/m0/s1
Mol Wt
667.7960000000003
Smiles
CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)CC1=O)OC(=O)C)OC(=O)C(C(C4=CC=CC=C4)N(C)C)O)C)OC(=O)C)OC(=O)C
Mol Log P
4.274900000000003
In Ch Ikey
VOMHMJTXSVWBOE-MYSYOJMRSA-N
Tcm Name
紫杉
Tcm Name2
ZI SHAN
Mol2 Path
/TCM_database/2007_3d_all/10738.mol2
Reference
662
Num Hdonors
1
Tcm Name En
Japanese Yew
Drug Likeness
0.241
Num Hacceptors
11
Isomeric Smiles
CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)OC(=O)[C@@H]([C@H](C4=CC=CC=C4)N(C)C)O)C)OC(=O)C)OC(=O)C
Canonical Smiles
CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)CC1=O)OC(=O)C)OC(=O)C(C(C4=CC=CC=C4)N(C)C)O)C)OC(=O)C)OC(=O)C
Molecular Weight
667.340
Molecular Weight
667.8 g/mol
Molecular Formula
C37H49NO10
Molecular Formula
C37H49NO10
Molecular Formula
C37H49NO10
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.504
Quantitative Estimate Of Drug Likeness（Qed）
0.241