Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 9Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 946
- Core Entity Id
- 4245
- Source Entity Count
- 1
- Preferred Name
- 24s-saringosterol
- Name En
- Pubchem Id
- 14161397
- Smiles Canonical
- CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)(C=C)O
- Molecular Formula
- C29H48O2
- Molecular Weight
- 428.7010
- Inchikey
- OPGVEUGCNGNPSX-BDCPAJACSA-N
- Inchi
- InChI=1S/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1
- Isomeric Smiles
- C[C@H](CC[C@@](C=C)(C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
- Cas Id
- Ob Score
- 22.3460
- Mol Logp
- 6.9157
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4510
- Polar Surface Area
- 40.0000
- Molecular Volume
- 339.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(24S)-Saringosterol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(24S)-Saringosterol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(24s)-saringosterol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(24s)-saringosterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
24s-saringosterol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
24s-saringosterol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-hydroxy-4-isopropyl-1-methyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-hydroxy-4-isopropyl-1-methyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
24(S)-Saringosterol
Role
alias
Source
HERB_v2
Preferred
No
Name
24(S)-Saringosterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
24R-Saringosterol
Role
alias
Source
HERB_v2
Preferred
No
Name
24R-Saringosterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
87859-98-1
Role
alias
Source
HERB_v2
Preferred
No
Name
87859-98-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50041409
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50041409
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL489548
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL489548
Role
alias
Source
itcmdb_public
Preferred
No
Name
GLXC-15420
Role
alias
Source
itcmdb_public
Preferred
No
Name
GLXC-15420
Role
alias
Source
HERB_v2
Preferred
No
Name
(24R)-Saringosterol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(24r)-saringosterol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-hydroxy-4-isopropyl-1-methyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3beta,24r)-stigmasta-5,28-diene-3,24-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
24S-Saringosterol
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50041410
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL524098
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(24S)-Saringosterol(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-hydroxy-4-isopropyl-1-methyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol24(S)-Saringosterol24R-Saringosterol87859-98-1BDBM50041409CHEMBL489548GLXC-15420(24R)-Saringosterol(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-hydroxy-4-isopropyl-1-methyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol(3beta,24r)-stigmasta-5,28-diene-3,24-diolBDBM50041410CHEMBL524098
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004545HBIN004514
Npass
NPC209944
Tcmsp
MOL011808MOL011802
Sym Map
SMIT12660SMIT12654
Pub Chem
1416139714161396
Tcmbank
TCMBANKIN048785TCMBANKIN042086
Etcm Ingredient
(24s)-saringosterol(24r)-saringosterol
Itcmdb Generated
ITX-INGREDIENT-CC401AC1D949ITX-INGREDIENT-785A795E3895
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
7
In Ch I
InChI=1S/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1
Mol Wt
428.7010000000002
Smiles
CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)(C=C)O
37 Flag
37
C Count
29
Mol Log P
6.915700000000009
N Count
0
O Count
2
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
OPGVEUGCNGNPSX-BDCPAJACSA-N
Ob Score
22.34622.3460105822.346011
Suppress
0
Mol2 Path
/TCM_database/1.解表药(28-28)/2.发散风热药(12-12)/菊花/structure/(24S)-saringosterol.mol2
Num Hdonors
2
Num H Donors
2
Drug Likeness
0.451
Num Hacceptors
2
Isomeric Smiles
C[C@H](CC[C@@](C=C)(C(C)C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Molecule Weight
428.77
Num H Acceptors
2
Canonical Smiles
CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)(C=C)O
Herb Alias Names
CHEMBL48954824R-Saringosterol24(S)-SaringosterolGLXC-15420BDBM50041409(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-hydroxy-4-isopropyl-1-methyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol87859-98-1
Molecular Weight
428.370
Molecular Volume
339
Molecular Weight
428.77
Molecular Formula
C29H48O2
Molecular Formula
C29H48O2
Molecular Formula
C29H48O2
Num Rotatable Bonds
6
Num Rotatable Bonds
6
Molecular Polar Surface Area
40
Fda Maximum Daily Dose (Fdamdd)
0.839
Quantitative Estimate Of Drug Likeness（Qed）
0.451