Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22580
- Core Entity Id
- 28282
- Source Entity Count
- 1
- Preferred Name
- Isodrimeninol
- Name En
- Pubchem Id
- 11322321
- Smiles Canonical
- CC1(CCCC2(C1CC=C3C2C(OC3)O)C)C
- Molecular Formula
- C15H24O2
- Molecular Weight
- 236.3550
- Inchikey
- FCSNZJLUQLZSBW-JLNYLFASSA-N
- Inchi
- InChI=1S/C15H24O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h5,11-13,16H,4,6-9H2,1-3H3/t11-,12+,13+,15-/m0/s1
- Isomeric Smiles
- C[C@]12CCCC([C@@H]1CC=C3[C@@H]2[C@@H](OC3)O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.1139
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isodrimeninol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isodrimeninol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isodrimeninol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Isodrimeninol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
水蓼
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHUI LIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Red-knees
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,5aS,9aS,9bR)-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo(g)(2)benzofuran-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,5aS,9aS,9bR)-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
72581-69-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
72581-69-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL459607
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL459607
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4814658
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4814658
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
水蓼SHUI LIAORed-knees(1R,5aS,9aS,9bR)-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo(g)(2)benzofuran-1-ol(1R,5aS,9aS,9bR)-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-ol72581-69-2CHEMBL459607SCHEMBL4814658
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030697
Npass
NPC17550
Tcmid
11400
Pub Chem
11322321
Tcmbank
TCMBANKIN040192
Etcm Ingredient
Isodrimeninol
Itcmdb Generated
ITX-INGREDIENT-FC92603FE663
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h5,11-13,16H,4,6-9H2,1-3H3/t11-,12+,13+,15-/m0/s1
Mol Wt
236.355
Mol Log P
3.113900000000002
In Ch Ikey
FCSNZJLUQLZSBW-JLNYLFASSA-N
Tcm Name
水蓼
Tcm Name2
SHUI LIAO
Mol2 Path
/TCM_database/2007_3d_all/11403.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Red-knees
Drug Likeness
0.655
Num Hacceptors
2
Isomeric Smiles
C[C@]12CCCC([C@@H]1CC=C3[C@@H]2[C@@H](OC3)O)(C)C
Canonical Smiles
CC1(CCCC2(C1CC=C3C2C(OC3)O)C)C
Herb Alias Names
(1R,5aS,9aS,9bR)-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo(g)(2)benzofuran-1-ol(1R,5aS,9aS,9bR)-6,6,9a-trimethyl-1,3,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1-olCHEMBL459607SCHEMBL481465872581-69-2
Molecular Weight
236.180
Molecular Weight
236.35 g/mol
Molecular Formula
C15H24O2
Molecular Formula
C15H24O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.763
Quantitative Estimate Of Drug Likeness（Qed）
0.655