Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6885
- Core Entity Id
- 10832
- Source Entity Count
- 1
- Preferred Name
- 5-decinnamoyl-11-acetyl-19-hydroxyl taxagifine
- Name En
- Pubchem Id
- 6325036
- Smiles Canonical
- CC(=O)OC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)OC(=O)C)OC(=O)C)OC(=O)C)CO)O
- Molecular Formula
- C30H40O14
- Molecular Weight
- 624.6360
- Inchikey
- RBSYNIDAFDHDHK-FOPMMUTESA-N
- Inchi
- InChI=1S/C30H40O14/c1-13-20(37)10-22(40-14(2)32)29(11-31)23(13)24(41-15(3)33)19-9-21(38)28(8)30(44-18(6)36,27(19,7)12-39-28)26(43-17(5)35)25(29)42-16(4)34/h19-20,22-26,31,37H,1,9-12H2,2-8H3/t19-,20-,22-,23-,24+,25-,26-,27?,28+,29+,30-/m0/s1
- Isomeric Smiles
- CC(=O)O[C@H]1C[C@@H](C(=C)[C@@H]2[C@@]1([C@H]([C@@H]([C@]3([C@]4(C(=O)C[C@@H]([C@H]2OC(=O)C)C3(CO4)C)C)OC(=O)C)OC(=O)C)OC(=O)C)CO)O
- Cas Id
- Ob Score
- Mol Logp
- 0.3286
- Num H Donors
- 2
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Decinnamoyl-11-acetyl-19-hydroxyl taxagifine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-Decinnamoyl-11-acetyl-19-hydroxyl taxagifine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-decinnamoyl-11-acetyl-19-hydroxyl taxagifine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-decinnamoyl-11-acetyl-19-hydroxyl taxagifine
Role
preferred
Source
HERB_v2
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
HBIN011506
Npass
NPC38091
Tcmid
4849
Pub Chem
6325036
Tcmbank
TCMBANKIN005229
Etcm Ingredient
5-Decinnamoyl-11-acetyl-19-hydroxyl taxagifine
Itcmdb Generated
ITX-INGREDIENT-27BCCFEC4012ITX-INGREDIENT-6E3256FDB000
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H40O14/c1-13-20(37)10-22(40-14(2)32)29(11-31)23(13)24(41-15(3)33)19-9-21(38)28(8)30(44-18(6)36,27(19,7)12-39-28)26(43-17(5)35)25(29)42-16(4)34/h19-20,22-26,31,37H,1,9-12H2,2-8H3/t19-,20-,22-,23-,24+,25-,26-,27?,28+,29+,30-/m0/s1
Mol Wt
624.6360000000004
Mol Log P
0.3286000000000016
In Ch Ikey
RBSYNIDAFDHDHK-FOPMMUTESA-N
Tcm Name
云南红豆杉
Tcm Name2
YUN NAN HONG DOU SHAN
Reference
296, 662
Num Hdonors
2
Tcm Name En
Yunnan Yew
Drug Likeness
0.233
Num Hacceptors
14
Isomeric Smiles
CC(=O)O[C@H]1C[C@@H](C(=C)[C@@H]2[C@@]1([C@H]([C@@H]([C@]3([C@]4(C(=O)C[C@@H]([C@H]2OC(=O)C)C3(CO4)C)C)OC(=O)C)OC(=O)C)OC(=O)C)CO)O
Canonical Smiles
CC(=O)OC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)OC(=O)C)OC(=O)C)OC(=O)C)CO)O
Molecular Weight
624.240
Molecular Formula
C30H40O14
Molecular Formula
C30H40O14
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.966
Quantitative Estimate Of Drug Likeness（Qed）
0.233