ITCMDBv1
IngredientID 24301

Laxogenin

C27H42O4

Back to Browse

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: 6Ingredient: 1Target: 4Links: 10
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
24301
Core Entity Id
30197
Source Entity Count
1
Preferred Name
Laxogenin
Name En
Pubchem Id
10950057
Smiles Canonical
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(=O)C6C5(CCC(C6)O)C)C)C)OC1
Molecular Formula
C27H42O4
Molecular Weight
430.6290
Inchikey
WOJKRRDDERNLBU-BOYSPROGSA-N
Inchi
InChI=1S/C27H42O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-21,23-24,28H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1
Isomeric Smiles
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
Cas Id
1177-71-5
Ob Score
15.9610
Mol Logp
4.9728
Num H Donors
1
Num H Acceptors
4
Num Rotatable Bonds
0
Drug Likeness
0.5890
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Laxogenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Laxogenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Laxogenin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Laxogenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
laxogenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(25r)-3beta-hydroxy-5alpha-spirostan-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(25r)-3beta-hydroxy-5alpha-spirostan-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1177-71-5
Role
alias
Source
HERB_v2
Preferred
No
Name
1177-71-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Oxotigogenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Oxotigogenin
Role
alias
Source
HERB_v2
Preferred
No
Name
HT7W184YG4
Role
alias
Source
itcmdb_public
Preferred
No
Name
HT7W184YG4
Role
alias
Source
HERB_v2
Preferred
No
Name
Laxogenine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Laxogenine
Role
alias
Source
HERB_v2
Preferred
No
Name
SPIROSTAN-6-ONE, 3-HYDROXY-, (3.BETA.,5.ALPHA.,25R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SPIROSTAN-6-ONE, 3-HYDROXY-, (3.BETA.,5.ALPHA.,25R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-HT7W184YG4
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-HT7W184YG4
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one(25r)-3beta-hydroxy-5alpha-spirostan-6-one1177-71-56-OxotigogeninHT7W184YG4LaxogenineSPIROSTAN-6-ONE, 3-HYDROXY-, (3.BETA.,5.ALPHA.,25R)-UNII-HT7W184YG4

Cross References

Trusted external identifiers retained for this final record.

Cas
1177-71-5
Herb
HBIN032787
Npass
NPC69807
Tcmid
12586
Tcmsp
MOL007634
Sym Map
SMIT00704
Pub Chem
10950057
Tcmbank
TCMBANKIN014484
Etcm Ingredient
Laxogenin
Itcmdb Generated
ITX-INGREDIENT-404646A07419

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C27H42O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-21,23-24,28H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1
Mol Wt
430.6290000000002
Cas Id
1177-71-5
Smiles
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(=O)C6C5(CCC(C6)O)C)C)C)OC1
Mol Log P
4.972800000000005
Version
v1,v2
In Ch Ikey
WOJKRRDDERNLBU-BOYSPROGSA-N
Ob Score
15.96115.9613639315.961364
Suppress
0
Num Hdonors
1
Drug Likeness
0.589
Num Hacceptors
4
Isomeric Smiles
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
Molecule Weight
430.69
Canonical Smiles
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(=O)C6C5(CCC(C6)O)C)C)C)OC1
Herb Alias Names
1177-71-5Laxogenine6-OxotigogeninUNII-HT7W184YG4HT7W184YG4(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one(25r)-3beta-hydroxy-5alpha-spirostan-6-one(25R)-3.BETA.-HYDROXY-5.ALPHA.-SPIROSTAN-6-ONESPIROSTAN-6-ONE, 3-HYDROXY-, (3.BETA.,5.ALPHA.,25R)-
Molecular Weight
430.310
Molecular Weight
430.62
Molecule Formula
C27H42O4
Molecular Formula
C27H42O4
Molecular Formula
C27H42O4
Molecular Formula
C27H42O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.742
Quantitative Estimate Of Drug Likeness（Qed）
0.589