Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10811
- Core Entity Id
- 15180
- Source Entity Count
- 1
- Preferred Name
- Angeloyl gomisin p
- Name En
- Pubchem Id
- 53325466
- Smiles Canonical
- c12c(OC([H])([H])O1)c(OC([H])([H])[H])c3c(C([H])([H])[C@]([H])(C([H])([H])[H])[C@](O[H])(C([H])([H])[H])[C@]([H])(OC(=O)\C(=C([H])\C([H])([H])[H])\C([H])([H])[H])c(c([H])c(OC([H])([H])[H])c(OC([H])([H ])[H])c4OC([H])([H])[H])c34)c2[H]
- Molecular Formula
- C28H34O9
- Molecular Weight
- 514.5710
- Inchikey
- ZIBVHHLTJKYXEB-LSHKVNPSSA-N
- Inchi
- InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-19-23(36-13-35-19)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-18(31-5)22(32-6)24(20)33-7/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9+/t15-,26-,28-/m0/s1
- Isomeric Smiles
- C/C=C(\C)/C(=O)O[C@H]1C2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@@H]([C@]1(C)O)C)OC)OC)OC)OC)OCO3
- Cas Id
- Ob Score
- Mol Logp
- 4.6104
- Num H Donors
- 1
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Angeloyl Gomisin P
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Angeloyl gomisin P
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Angeloyl gomisin p
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Angeloyl gomisin p
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Angeloylgomisin P
Role
preferred
Source
TCMBank
Preferred
Yes
Name
五味子(北五味子)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
WU WEI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese MagnoIiavine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Angeloylgomisin P五味子(北五味子)WU WEI ZIChinese MagnoIiavine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016114
Tcmid
120830605
Sym Map
SMIT22346
Pub Chem
53325466
Tcmbank
TCMBANKIN011895
Etcm Ingredient
Angeloyl gomisin P
Itcmdb Generated
ITX-INGREDIENT-1166DFFB0FF1ITX-INGREDIENT-57B315862166ITX-INGREDIENT-BCEABBC080A3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-19-23(36-13-35-19)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-18(31-5)22(32-6)24(20)33-7/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9+/t15-,26-,28-/m0/s1
Mol Wt
514.5710000000004
Smiles
c12c(OC([H])([H])O1)c(OC([H])([H])[H])c3c(C([H])([H])[C@]([H])(C([H])([H])[H])[C@](O[H])(C([H])([H])[H])[C@]([H])(OC(=O)\C(=C([H])\C([H])([H])[H])\C([H])([H])[H])c(c([H])c(OC([H])([H])[H])c(OC([H])([H
])[H])c4OC([H])([H])[H])c34)c2[H]
Mol Log P
4.610400000000004
Version
v2
In Ch Ikey
ZIBVHHLTJKYXEB-LSHKVNPSSA-N
Suppress
0
Tcm Name
五味子(北五味子)
Tcm Name2
WU WEI ZI
Mol2 Path
/TCM_database/2003_3d_all/466.mol2
Reference
2
Num Hdonors
1
Tcm Name En
Chinese MagnoIiavine
Drug Likeness
0.437
Num Hacceptors
9
Isomeric Smiles
C/C=C(\C)/C(=O)O[C@H]1C2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@@H]([C@]1(C)O)C)OC)OC)OC)OC)OCO3
Canonical Smiles
CC=C(C)C(=O)OC1C2=CC3=C(C(=C2C4=C(C(=C(C=C4CC(C1(C)O)C)OC)OC)OC)OC)OCO3
Molecular Weight
514.220
Molecular Formula
C28H34O9
Molecular Formula
C28H34O9
Molecular Formula
C28H34O9
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.616
Quantitative Estimate Of Drug Likeness（Qed）
0.437