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
- 19325
- Core Entity Id
- 24658
- Source Entity Count
- 1
- Preferred Name
- Fomitoside b
- Name En
- Pubchem Id
- 139585721
- Smiles Canonical
- CC(=C)C(CCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)OC5C(C(COC5O)O)O)O
- Molecular Formula
- C35H54O8
- Molecular Weight
- 602.8090
- Inchikey
- MDOFKFYGVBTDAC-RSWXTIEXSA-N
- Inchi
- InChI=1S/C35H54O8/c1-19(2)24(36)10-8-20(30(40)43-29-28(39)25(37)18-42-31(29)41)21-12-16-35(7)23-9-11-26-32(3,4)27(38)14-15-33(26,5)22(23)13-17-34(21,35)6/h20-21,24-26,28-29,31,36-37,39,41H,1,8-18H2,2-7H3/t20-,21-,24+,25-,26+,28+,29-,31-,33-,34-,35+/m1/s1
- Isomeric Smiles
- CC(=C)[C@H](CC[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)O
- Cas Id
- Ob Score
- Mol Logp
- 4.6204
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fomitoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Fomitoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fomitoside b
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
CHEBI:208847
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:208847
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R,5S)-5-hydroxy-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-6-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R,5S)-5-hydroxy-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-6-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:208847[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R,5S)-5-hydroxy-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-6-enoate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026644
Npass
NPC298649
Tcmid
7866
Pub Chem
139585721
Tcmbank
TCMBANKIN037888
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C35H54O8/c1-19(2)24(36)10-8-20(30(40)43-29-28(39)25(37)18-42-31(29)41)21-12-16-35(7)23-9-11-26-32(3,4)27(38)14-15-33(26,5)22(23)13-17-34(21,35)6/h20-21,24-26,28-29,31,36-37,39,41H,1,8-18H2,2-7H3/t20-,21-,24+,25-,26+,28+,29-,31-,33-,34-,35+/m1/s1
Mol Wt
602.8090000000007
Mol Log P
4.620400000000007
In Ch Ikey
MDOFKFYGVBTDAC-RSWXTIEXSA-N
Tcm Name
红缘层孔菌
Tcm Name2
HONG YUAN CENG KONG JUN
Mol2 Path
/TCM_database/2007_3d_all/07867.mol2
Reference
4798
Num Hdonors
4
Tcm Name En
Red Belt Polypore
Drug Likeness
0.245
Num Hacceptors
8
Isomeric Smiles
CC(=C)[C@H](CC[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)O
Canonical Smiles
CC(=C)C(CCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)OC5C(C(COC5O)O)O)O
Herb Alias Names
CHEBI:208847[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl] (2R,5S)-5-hydroxy-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-6-enoate
Molecular Formula
C35H54O8
Num Rotatable Bonds
7