Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20383
- Core Entity Id
- 25836
- Source Entity Count
- 1
- Preferred Name
- Gloeosteretriol
- Name En
- Pubchem Id
- 132365
- Smiles Canonical
- CC1C(CC2(C1(C3CC(CC3(C2)O)(C)C)C)O)O
- Molecular Formula
- C15H26O3
- Molecular Weight
- 254.3700
- Inchikey
- MXIZCSZWQVEQQV-DWJLGYRFSA-N
- Inchi
- InChI=1S/C15H26O3/c1-9-10(16)5-15(18)8-14(17)7-12(2,3)6-11(14)13(9,15)4/h9-11,16-18H,5-8H2,1-4H3/t9-,10+,11+,13+,14+,15+/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@H](C[C@]2([C@@]1([C@@H]3CC(C[C@@]3(C2)O)(C)C)C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.6955
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Gloeosteretriol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gloeosteretriol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gloeosteretriol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gloeosteretriol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
gloeosteretriol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S,3S,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3S,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
141434-36-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
141434-36-8
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Cyclopenta(a)pentalene-2,6a,7a(2H,7H)-triol, hexahydro-3,3a,5,5-tetramethyl-, (2S-(2alpha,3beta,3aalpha,3bbeta,6abeta,7aalpha))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Cyclopenta(a)pentalene-2,6a,7a(2H,7H)-triol, hexahydro-3,3a,5,5-tetramethyl-, (2S-(2alpha,3beta,3aalpha,3bbeta,6abeta,7aalpha))-
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3a,5,5-Tetramethylhexahydro-1H-cyclopenta[a]pentalene-2,6a,7a(2H,7H)-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3a,5,5-Tetramethylhexahydro-1H-cyclopenta[a]pentalene-2,6a,7a(2H,7H)-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229131
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229131
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70931099
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70931099
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S,3S,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol141434-36-81H-Cyclopenta(a)pentalene-2,6a,7a(2H,7H)-triol, hexahydro-3,3a,5,5-tetramethyl-, (2S-(2alpha,3beta,3aalpha,3bbeta,6abeta,7aalpha))-3,3a,5,5-Tetramethylhexahydro-1H-cyclopenta[a]pentalene-2,6a,7a(2H,7H)-triolCHEBI:229131DTXSID70931099
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027988
Tcmid
8580
Sym Map
SMIT15605
Pub Chem
132365
Tcmbank
TCMBANKIN031438
Etcm Ingredient
Gloeosteretriol
Itcmdb Generated
ITX-INGREDIENT-53BA9CEBE099
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H26O3/c1-9-10(16)5-15(18)8-14(17)7-12(2,3)6-11(14)13(9,15)4/h9-11,16-18H,5-8H2,1-4H3/t9-,10+,11+,13+,14+,15+/m1/s1
Mol Wt
254.37
Smiles
CC1C(CC2(C1(C3CC(CC3(C2)O)(C)C)C)O)O
Mol Log P
1.6955
Version
v1,v2
In Ch Ikey
MXIZCSZWQVEQQV-DWJLGYRFSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.616
Num Hacceptors
3
Isomeric Smiles
C[C@@H]1[C@H](C[C@]2([C@@]1([C@@H]3CC(C[C@@]3(C2)O)(C)C)C)O)O
Canonical Smiles
CC1C(CC2(C1(C3CC(CC3(C2)O)(C)C)C)O)O
Herb Alias Names
141434-36-8(2S,3S,3aS,3bS,6aS,7aS)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol1H-Cyclopenta(a)pentalene-2,6a,7a(2H,7H)-triol, hexahydro-3,3a,5,5-tetramethyl-, (2S-(2alpha,3beta,3aalpha,3bbeta,6abeta,7aalpha))-DTXSID70931099CHEBI:2291313,3a,5,5-Tetramethylhexahydro-1H-cyclopenta[a]pentalene-2,6a,7a(2H,7H)-triol
Molecular Weight
254.190
Molecular Weight
254.36 g/mol
Molecule Formula
C15H26O3
Molecular Formula
C15H26O3
Molecular Formula
C15H26O3
Molecular Formula
C15H26O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.399
Quantitative Estimate Of Drug Likeness（Qed）
0.616