Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1434
- Core Entity Id
- 4783
- Source Entity Count
- 1
- Preferred Name
- 29-norlanost-9(11)-enol
- Name En
- Pubchem Id
- 102268369
- Smiles Canonical
- CC1C2CCC3C(=CCC4(C3(CCC4C(C)CCCC(C)C)C)C)C2(CCC1O)C
- Molecular Formula
- C29H50O
- Molecular Weight
- 414.7180
- Inchikey
- SZCKXGWHINUNKB-WGYLBJSBSA-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/h14,19-23,25-26,30H,8-13,15-18H2,1-7H3/t20-,21+,22-,23+,25-,26+,27+,28-,29+/m1/s1
- Isomeric Smiles
- C[C@H]1[C@@H]2CC[C@@H]3C(=CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCCC(C)C)C)C)[C@]2(CC[C@@H]1O)C
- Cas Id
- Ob Score
- Mol Logp
- 8.0248
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
29-Norlanost-9(11)-Enol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
29-Norlanost-9(11)-Enol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
29-Norlanost-9(11)-enol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
29-Norlanost-9(11)-enol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
29-norlanost-9(11)-enol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
29-norlanost-9(11)-enol
Role
preferred
Source
itcmdb_public
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
4alpha,14alpha-dimethyl cholest-9(11)-en-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4alpha,14alpha-dimethyl cholest-9(11)-en-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL26642251
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL26642251
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
枸杞子GOU QI ZIChinese Wolfberry Fruit4alpha,14alpha-dimethyl cholest-9(11)-en-3beta-olSCHEMBL26642251
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005101
Tcmid
15763
Sym Map
SMIT16918
Pub Chem
102268369
Tcmbank
TCMBANKIN040087
Etcm Ingredient
29-Norlanost-9(11)-enol
Itcmdb Generated
ITX-INGREDIENT-E4E956B1E70E
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/h14,19-23,25-26,30H,8-13,15-18H2,1-7H3/t20-,21+,22-,23+,25-,26+,27+,28-,29+/m1/s1
Mol Wt
414.7180000000002
Mol Log P
8.02480000000001
Version
v1,v2
In Ch Ikey
SZCKXGWHINUNKB-WGYLBJSBSA-N
Suppress
0
Tcm Name
枸杞子
Tcm Name2
GOU QI ZI
Mol2 Path
/TCM_database/2007_3d_all/15772.mol2
Reference
2730
Num Hdonors
1
Tcm Name En
Chinese Wolfberry Fruit
Drug Likeness
0.451
Num Hacceptors
1
Isomeric Smiles
C[C@H]1[C@@H]2CC[C@@H]3C(=CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCCC(C)C)C)C)[C@]2(CC[C@@H]1O)C
Canonical Smiles
CC1C2CCC3C(=CCC4(C3(CCC4C(C)CCCC(C)C)C)C)C2(CCC1O)C
Herb Alias Names
SCHEMBL266422514alpha,14alpha-dimethyl cholest-9(11)-en-3beta-ol
Molecular Weight
414.390
Molecular Formula
C29H50O
Molecular Formula
C29H50O
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.133
Quantitative Estimate Of Drug Likeness（Qed）
0.451