Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21433
- Core Entity Id
- 27010
- Source Entity Count
- 1
- Preferred Name
- Hexahydroxytaxadiene
- Name En
- Pubchem Id
- 5318040
- Smiles Canonical
- CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1O)O)O)O)C)O)O
- Molecular Formula
- C20H32O6
- Molecular Weight
- 368.4700
- Inchikey
- RRAFCTVSIHVYHJ-AULKTIENSA-N
- Inchi
- InChI=1S/C20H32O6/c1-9-11(21)6-7-19(5)14(9)16(24)20(26)8-12(22)10(2)13(18(20,3)4)15(23)17(19)25/h11-12,14-17,21-26H,1,6-8H2,2-5H3/t11-,12-,14-,15+,16-,17-,19+,20+/m0/s1
- Isomeric Smiles
- CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)O)O)C)O)O
- Cas Id
- Ob Score
- 8.2810
- Mol Logp
- 0.2545
- Num H Donors
- 6
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hexahydroxytaxadiene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hexahydroxytaxadiene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hexahydroxytaxadiene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hexahydroxytaxadiene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hexahydroxytaxadiene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
hexahydroxytaxadiene
Role
alias
Source
TCMBank
Preferred
No
Name
红豆杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG DOU SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Yew
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红豆杉HONG DOU SHANChinese Yew
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029310
Tcmid
9504
Tcmsp
MOL008982
Sym Map
SMIT10180
Pub Chem
5318040
Tcmbank
TCMBANKIN010794TCMBANKIN054638
Etcm Ingredient
Hexahydroxytaxadiene
Itcmdb Generated
ITX-INGREDIENT-43830C9BB6D0ITX-INGREDIENT-E8A3CC1337A0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H32O6/c1-9-11(21)6-7-19(5)14(9)16(24)20(26)8-12(22)10(2)13(18(20,3)4)15(23)17(19)25/h11-12,14-17,21-26H,1,6-8H2,2-5H3/t11-,12-,14-,15+,16-,17-,19+,20+/m0/s1
Mol Wt
368.47
Smiles
CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1O)O)O)O)C)O)O
Mol Log P
0.2544999999999998
Version
v1,v2
In Ch Ikey
RRAFCTVSIHVYHJ-AULKTIENSA-N
Ob Score
8.2818.281088.281080378
Suppress
0
Tcm Name
红豆杉
Tcm Name2
HONG DOU SHAN
Mol2 Path
/TCM_database/2003_3d_all/3829.mol2
Reference
662695, 662
Num Hdonors
6
Tcm Name En
Chinese Yew
Drug Likeness
0.341
Num Hacceptors
6
Isomeric Smiles
CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)O)O)C)O)O
Molecule Weight
368.52
Canonical Smiles
CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1O)O)O)O)C)O)O
Molecular Weight
368.220
Molecular Weight
368.52
Molecular Formula
C20H32O6
Molecular Formula
C20H32O6
Molecular Formula
C20H32O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.986
Quantitative Estimate Of Drug Likeness（Qed）
0.341