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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19326
- Core Entity Id
- 24659
- Source Entity Count
- 1
- Preferred Name
- Fomitoside c
- Name En
- Pubchem Id
- 11284735
- Smiles Canonical
- CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)OC5C(C(C(CO5)O)O)O)C
- Molecular Formula
- C35H54O7
- Molecular Weight
- 586.8100
- Inchikey
- CGKSRSYGEXOCNN-WQWZUKFYSA-N
- Inchi
- InChI=1S/C35H54O7/c1-20(2)9-8-10-21(30(39)42-29-28(38)25(36)19-41-31(29)40)22-13-17-35(7)24-11-12-26-32(3,4)27(37)15-16-33(26,5)23(24)14-18-34(22,35)6/h9,21-22,25-26,28-29,31,36,38,40H,8,10-19H2,1-7H3/t21-,22-,25-,26+,28+,29-,31-,33-,34-,35+/m1/s1
- Isomeric Smiles
- CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O[C@@H]5[C@H]([C@@H](CO[C@H]5O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.6496
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fomitoside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fomitoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fomitoside c
Role
preferred
Source
HERB_v2
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
CHEBI:203426
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:203426
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R)-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R)-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红缘层孔菌HONG YUAN CENG KONG JUNRed Belt PolyporeCHEBI:203426[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R)-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026645
Npass
NPC162033
Tcmid
7867
Pub Chem
11284735139584895
Tcmbank
TCMBANKIN042406
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C35H54O7/c1-20(2)9-8-10-21(30(39)42-29-28(38)25(36)19-41-31(29)40)22-13-17-35(7)24-11-12-26-32(3,4)27(37)15-16-33(26,5)23(24)14-18-34(22,35)6/h9,21-22,25-26,28-29,31,36,38,40H,8,10-19H2,1-7H3/t21-,22-,25-,26+,28+,29-,31-,33-,34-,35+/m1/s1
Mol Wt
586.8100000000005
Mol Log P
5.649600000000008
In Ch Ikey
CGKSRSYGEXOCNN-WQWZUKFYSA-N
Tcm Name
红缘层孔菌
Tcm Name2
HONG YUAN CENG KONG JUN
Mol2 Path
/TCM_database/2007_3d_all/07868.mol2
Reference
4798
Num Hdonors
3
Tcm Name En
Red Belt Polypore
Drug Likeness
0.272
Num Hacceptors
7
Isomeric Smiles
CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O[C@@H]5[C@H]([C@@H](CO[C@H]5O)O)O)C
Canonical Smiles
CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)OC5C(C(COC5O)O)O)C
Herb Alias Names
CHEBI:203426[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R)-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoate
Molecular Weight
586.8 g/mol
Molecular Formula
C35H54O7
Num Rotatable Bonds
6