Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28607
- Core Entity Id
- 34983
- Source Entity Count
- 1
- Preferred Name
- Opposit-4(15)-ene-1beta,11-diol
- Name En
- Pubchem Id
- 56672124
- Smiles Canonical
- CC12CCC(C1C(=C)CCC2O)CC(C)(C)O
- Molecular Formula
- C15H26O2
- Molecular Weight
- 238.3710
- Inchikey
- UACKNRNYUIAHPT-BHPKHCPMSA-N
- Inchi
- InChI=1S/C15H26O2/c1-10-5-6-12(16)15(4)8-7-11(13(10)15)9-14(2,3)17/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,15+/m1/s1
- Isomeric Smiles
- C[C@@]12CC[C@@H]([C@H]1C(=C)CC[C@H]2O)CC(C)(C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8908
- 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
Opposit-4(15)-ene-1beta,11-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Opposit-4(15)-ene-1beta,11-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1R,3aR,4R,7aS)-1-(2-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,3aR,4R,7aS)-1-(2-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,3aR,4R,7aS)-1-(2-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,3aR,4R,7aS)-1-(2-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:69848
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:69848
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1814428
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1814428
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27138187
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27138187
Role
alias
Source
HERB_v2
Preferred
No
Name
oppsit-4(15)-ene-1beta,11-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
oppsit-4(15)-ene-1beta,11-diol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1R,3aR,4R,7aS)-1-(2-hydroxy-2-methyl-propyl)-3a-methyl-7-methylene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol(1R,3aR,4R,7aS)-1-(2-hydroxy-2-methylpropyl)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-olCHEBI:69848CHEMBL1814428Q27138187oppsit-4(15)-ene-1beta,11-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038220
Npass
NPC219940
Tcmid
16146
Pub Chem
56672124
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26O2/c1-10-5-6-12(16)15(4)8-7-11(13(10)15)9-14(2,3)17/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,15+/m1/s1
Mol Wt
238.371
Mol Log P
2.890800000000002
In Ch Ikey
UACKNRNYUIAHPT-BHPKHCPMSA-N
Num Hdonors
2
Drug Likeness
0.726
Num Hacceptors
2
Isomeric Smiles
C[C@@]12CC[C@@H]([C@H]1C(=C)CC[C@H]2O)CC(C)(C)O
Canonical Smiles
CC12CCC(C1C(=C)CCC2O)CC(C)(C)O
Herb Alias Names
oppsit-4(15)-ene-1beta,11-diolCHEBI:69848CHEMBL1814428Q27138187(1R,3aR,4R,7aS)-1-(2-hydroxy-2-methyl-propyl)-3a-methyl-7-methylene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol(1R,3aR,4R,7aS)-1-(2-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