Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19332
- Core Entity Id
- 24666
- Source Entity Count
- 1
- Preferred Name
- Fomitoside h
- Name En
- Pubchem Id
- 11158482
- Smiles Canonical
- CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC(=O)CC(C)(CC(=O)OC)O)C)C)C)C(=O)OC5C(C(C(CO5)O)O)O)C
- Molecular Formula
- C42H66O11
- Molecular Weight
- 746.9790
- Inchikey
- PIKUUXNDOMSKCQ-DFXGZFGXSA-N
- Inchi
- InChI=1S/C42H66O11/c1-24(2)11-10-12-25(36(48)53-37-35(47)34(46)29(43)23-51-37)26-15-19-42(8)28-13-14-30-38(3,4)31(52-33(45)22-39(5,49)21-32(44)50-9)17-18-40(30,6)27(28)16-20-41(26,42)7/h11,25-26,29-31,34-35,37,43,46-47,49H,10,12-23H2,1-9H3/t25-,26-,29-,30+,31-,34+,35-,37+,39?,40-,41-,42+/m1/s1
- Isomeric Smiles
- CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)CC(C)(CC(=O)OC)O)C)C)C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.6965
- Num H Donors
- 4
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.1160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fomitoside H
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fomitoside h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fomitoside h
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
红缘层孔菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG YUAN CENG KONG JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Red Belt Polypore
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
BDBM50259818
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50259818
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL445461
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL445461
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红缘层孔菌HONG YUAN CENG KONG JUNRed Belt PolyporeBDBM50259818CHEMBL445461
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026650
Npass
NPC116024
Tcmid
7872
Pub Chem
11158482
Tcmbank
TCMBANKIN046439
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C42H66O11/c1-24(2)11-10-12-25(36(48)53-37-35(47)34(46)29(43)23-51-37)26-15-19-42(8)28-13-14-30-38(3,4)31(52-33(45)22-39(5,49)21-32(44)50-9)17-18-40(30,6)27(28)16-20-41(26,42)7/h11,25-26,29-31,34-35,37,43,46-47,49H,10,12-23H2,1-9H3/t25-,26-,29-,30+,31-,34+,35-,37+,39?,40-,41-,42+/m1/s1
Mol Wt
746.9790000000005
Mol Log P
5.696500000000008
In Ch Ikey
PIKUUXNDOMSKCQ-DFXGZFGXSA-N
Tcm Name
红缘层孔菌
Tcm Name2
HONG YUAN CENG KONG JUN
Mol2 Path
/TCM_database/2007_3d_all/07873.mol2
Reference
4798
Num Hdonors
4
Tcm Name En
Red Belt Polypore
Drug Likeness
0.116
Num Hacceptors
11
Isomeric Smiles
CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)CC(C)(CC(=O)OC)O)C)C)C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)C
Canonical Smiles
CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC(=O)CC(C)(CC(=O)OC)O)C)C)C)C(=O)OC5C(C(C(CO5)O)O)O)C
Herb Alias Names
CHEMBL445461BDBM50259818
Molecular Weight
747 g/mol
Molecular Formula
C42H66O11
Num Rotatable Bonds
11