IngredientID 28247
Octahydro-4-hydroxy-3alpha-methyl-7-methylene-alpha-(1-methylethyl)-1h-indene-1-methanol
C15H26O2
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Herb: 3Ingredient: 1Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28247
- Core Entity Id
- 34582
- Source Entity Count
- 1
- Preferred Name
- Octahydro-4-hydroxy-3alpha-methyl-7-methylene-alpha-(1-methylethyl)-1h-indene-1-methanol
- Name En
- Pubchem Id
- 21629614
- Smiles Canonical
- CC(C)C(C1CCC2(C1C(=C)CCC2O)C)O
- Molecular Formula
- C15H26O2
- Molecular Weight
- 238.3710
- Inchikey
- OZBVMKPZPKMEGY-CAEXGNQWSA-N
- Inchi
- InChI=1S/C15H26O2/c1-9(2)14(17)11-7-8-15(4)12(16)6-5-10(3)13(11)15/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13+,14+,15-/m1/s1
- Isomeric Smiles
- CC(C)[C@@H]([C@@H]1CC[C@]2([C@H]1C(=C)CC[C@@H]2O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7467
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Octahydro-4-hydroxy-3alpha-methyl-7-methylene-alpha-(1-methylethyl)-1h-indene-1-methanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Octahydro-4-hydroxy-3alpha-methyl-7-methylene-alpha-(1-methylethyl)-1h-indene-1-methanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methyl-propyl]-3a-methyl-7-methylene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methyl-propyl]-3a-methyl-7-methylene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methylpropyl]-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methylpropyl]-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:69849
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:69849
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL464961
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL464961
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27138188
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27138188
Role
alias
Source
HERB_v2
Preferred
No
Name
(7r*)-opposit-4(15)-ene-1beta,7-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol(1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methyl-propyl]-3a-methyl-7-methylene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol(1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methylpropyl]-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-olCHEBI:69849CHEMBL464961Q27138188(7r*)-opposit-4(15)-ene-1beta,7-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037784HBIN013461
Npass
NPC300442
Tcmid
1595616145
Pub Chem
2162961446849807
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26O2/c1-9(2)14(17)11-7-8-15(4)12(16)6-5-10(3)13(11)15/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13+,14+,15-/m1/s1
Mol Wt
238.371
Mol Log P
2.746700000000001
In Ch Ikey
OZBVMKPZPKMEGY-CAEXGNQWSA-N
Num Hdonors
2
Drug Likeness
0.726
Num Hacceptors
2
Isomeric Smiles
CC(C)[C@@H]([C@@H]1CC[C@]2([C@H]1C(=C)CC[C@@H]2O)C)O
Canonical Smiles
CC(C)C(C1CCC2(C1C(=C)CCC2O)C)O
Herb Alias Names
CHEBI:69849(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-olCHEMBL464961Q27138188(1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methyl-propyl]-3a-methyl-7-methylene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol(1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methylpropyl]-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
Molecular Formula
C15H26O2
Num Rotatable Bonds
2