IngredientID 5323
(3s,4s,5r,10s,13r,14r,17r)-4,10,13,14-tetramethyl-17-((r)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
C30H48O
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: 1Target: 6Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5323
- Core Entity Id
- 9105
- Source Entity Count
- 1
- Preferred Name
- (3s,4s,5r,10s,13r,14r,17r)-4,10,13,14-tetramethyl-17-((r)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C30H48O
- Molecular Weight
- 424.7800
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 46.2870
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(3S,4S,5R,10S,13R,14R,17R)-4,10,13,14-Tetramethyl-17-((R)-6-Methyl-5-Methyleneheptan-2-Yl)-2,3,4,5,6,10,12,13,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(3S,4S,5R,10S,13R,14R,17R)-4,10,13,14-Tetramethyl-17-((R)-6-Methyl-5-Methyleneheptan-2-Yl)-2,3,4,5,6,10,12,13,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3S,4S,5R,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3S,4S,5R,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3s,4s,5r,10s,13r,14r,17r)-4,10,13,14-tetramethyl-17-((r)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3s,4s,5r,10s,13r,14r,17r)-4,10,13,14-tetramethyl-17-((r)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009642
Tcmsp
MOL006321
Sym Map
SMIT07964
Tcmbank
TCMBANKIN002037
Etcm Ingredient
(3S,4S,5R,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-((R)-6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Itcmdb Generated
ITX-INGREDIENT-207F97F128BC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
46.28746.2871029846.287103
Suppress
0
Molecule Weight
424.78
Molecular Weight
424.370
Molecular Weight
424.78
Molecular Formula
C30H48O
Fda Maximum Daily Dose (Fdamdd)
0.438
Quantitative Estimate Of Drug Likeness（Qed）
0.442