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
- 966
- Core Entity Id
- 4269
- Source Entity Count
- 1
- Preferred Name
- 24ξ-methyl-5alpha-lanosta-25-one
- Name En
- Pubchem Id
- 100927152
- Smiles Canonical
- CC(CCC(C)C(=O)C)C1CCC2(C1(CCC3C2CCC4C3(CCCC4(C)C)C)C)C
- Molecular Formula
- C30H52O
- Molecular Weight
- 428.7450
- Inchikey
- ABKXMOHJGSXLHK-IVGZARGWSA-N
- Inchi
- InChI=1S/C30H52O/c1-20(22(3)31)10-11-21(2)23-14-18-30(8)25-12-13-26-27(4,5)16-9-17-28(26,6)24(25)15-19-29(23,30)7/h20-21,23-26H,9-19H2,1-8H3/t20?,21-,23-,24+,25-,26+,28-,29-,30+/m1/s1
- Isomeric Smiles
- C[C@H](CCC(C)C(=O)C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.7030
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
24ξ-methyl-5alpha-lanosta-25-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
24ξ-methyl-5alpha-lanosta-25-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(6R)-3-methyl-6-[(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(6R)-3-methyl-6-[(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
24xi-methyl-5alpha-lanosta-25-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
24xi-methyl-5alpha-lanosta-25-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:214909
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:214909
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(6R)-3-methyl-6-[(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-one24xi-methyl-5alpha-lanosta-25-oneCHEBI:214909
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004565
Tcmid
38766
Pub Chem
100927152
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H52O/c1-20(22(3)31)10-11-21(2)23-14-18-30(8)25-12-13-26-27(4,5)16-9-17-28(26,6)24(25)15-19-29(23,30)7/h20-21,23-26H,9-19H2,1-8H3/t20?,21-,23-,24+,25-,26+,28-,29-,30+/m1/s1
Mol Wt
428.7450000000003
Mol Log P
8.703000000000005
In Ch Ikey
ABKXMOHJGSXLHK-IVGZARGWSA-N
Num Hdonors
0
Drug Likeness
0.428
Num Hacceptors
1
Isomeric Smiles
C[C@H](CCC(C)C(=O)C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C
Canonical Smiles
CC(CCC(C)C(=O)C)C1CCC2(C1(CCC3C2CCC4C3(CCCC4(C)C)C)C)C
Herb Alias Names
24xi-methyl-5alpha-lanosta-25-oneCHEBI:214909(6R)-3-methyl-6-[(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-one
Molecular Formula
C30H52O
Num Rotatable Bonds
5