ITCMDBv1
IngredientID 1433

29-norlanost-8-enol

C29H50O

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Relationship Network

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Herb: 3Ingredient: 1Links: 3
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
1433
Core Entity Id
4782
Source Entity Count
1
Preferred Name
29-norlanost-8-enol
Name En
Pubchem Id
14845298
Smiles Canonical
CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCCC(C)C)C)C
Molecular Formula
C29H50O
Molecular Weight
414.7180
Inchikey
IXVNEXDHXGHWLS-PMIIOQGLSA-N
Inchi
InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h19-23,26,30H,8-18H2,1-7H3/t20-,21+,22-,23+,26+,27+,28-,29+/m1/s1
Isomeric Smiles
C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Cas Id
Ob Score
Mol Logp
8.1689
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
5
Drug Likeness
0.4500
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
29-Norlanost-8-Enol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
29-Norlanost-8-Enol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
29-Norlanost-8-enol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
29-norlanost-8-enol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
29-norlanost-8-enol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
枸杞子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GOU QI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Wolfberry Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
16910-39-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
16910-39-7
Role
alias
Source
HERB_v2
Preferred
No
Name
31-Norlanostenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
31-Norlanostenol
Role
alias
Source
HERB_v2
Preferred
No
Name
31-nor-24(25)-dihydrolanosterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
31-nor-24(25)-dihydrolanosterol
Role
alias
Source
HERB_v2
Preferred
No
Name
4alpha,14alpha-dimethyl-cholesta-8-enol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4alpha,14alpha-dimethyl-cholesta-8-enol
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040740670
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040740670
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0111025
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0111025
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-69933
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-69933
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N7267
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N7267
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

枸杞子GOU QI ZIChinese Wolfberry Fruit(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol16910-39-731-Norlanostenol31-nor-24(25)-dihydrolanosterol4alpha,14alpha-dimethyl-cholesta-8-enolAKOS040740670CS-0111025DA-69933HY-N7267

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN005100
Npass
NPC210997
Tcmid
15762
Sym Map
SMIT16917
Pub Chem
14845298
Tcmbank
TCMBANKIN044713

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h19-23,26,30H,8-18H2,1-7H3/t20-,21+,22-,23+,26+,27+,28-,29+/m1/s1
Mol Wt
414.7180000000002
Mol Log P
8.168900000000008
Version
v1,v2
In Ch Ikey
IXVNEXDHXGHWLS-PMIIOQGLSA-N
Suppress
0
Tcm Name
枸杞子
Tcm Name2
GOU QI ZI
Mol2 Path
/TCM_database/2007_3d_all/15771.mol2
Reference
2730
Num Hdonors
1
Tcm Name En
Chinese Wolfberry Fruit
Drug Likeness
0.45
Num Hacceptors
1
Isomeric Smiles
C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Canonical Smiles
CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCCC(C)C)C)C
Herb Alias Names
31-Norlanostenol16910-39-731-nor-24(25)-dihydrolanosterolHY-N7267AKOS0407406704alpha,14alpha-dimethyl-cholesta-8-enolDA-69933CS-0111025(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Molecular Formula
C29H50O
Num Rotatable Bonds
5