Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29172
- Core Entity Id
- 35612
- Source Entity Count
- 1
- Preferred Name
- Patchoulenone
- Name En
- Pubchem Id
- 5320424
- Smiles Canonical
- CC1CCC2C(=O)C3=C(CCC13C2(C)C)C
- Molecular Formula
- C15H22O
- Molecular Weight
- 218.3400
- Inchikey
- JAWSHISYWRRQQQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3
- Isomeric Smiles
- CC1CCC2C(=O)C3=C(CCC13C2(C)C)C
- Cas Id
- 5986-54-9
- Ob Score
- Mol Logp
- 3.7381
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6050
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Patchoulenone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Patchoulenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Patchoulenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Patchoulenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Patchoulenone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Patchoulenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
XIANG FU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Nutgrass Galingale
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4,10,11,11-tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,10,11,11-tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Patchoulen-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Patchoulen-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Oxocyperene
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Oxocyperene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Narucinone
Role
alias
Source
HERB_v2
Preferred
No
Name
Narucinone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
XIANG FUNutgrass Galingale4,10,11,11-tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-6-one4-Patchoulen-6-one8-OxocypereneNarucinone
Cross References
Trusted external identifiers retained for this final record.
Cas
5986-54-9
Herb
HBIN038917
Npass
NPC329449
Tcmid
16697
Sym Map
SMIT01553
Tcm Id
201524941
Pub Chem
5320424
Tcmbank
TCMBANKIN048948
Etcm Ingredient
Patchoulenone
Itcmdb Generated
ITX-INGREDIENT-0CBEC491CFB1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3
Mol Wt
218.3399999999999
Cas Id
5986-54-9
Mol Log P
3.738100000000003
Version
v1,v2
In Ch Ikey
JAWSHISYWRRQQQ-UHFFFAOYSA-N
Suppress
0
Tcm Name2
XIANG FU
Mol2 Path
/TCM_database/2007_3d_all/16709.mol2
Reference
6
Num Hdonors
0
Tcm Name En
Nutgrass Galingale
Drug Likeness
0.605
Num Hacceptors
1
Isomeric Smiles
CC1CCC2C(=O)C3=C(CCC13C2(C)C)C
Molecule Weight
218.338
Canonical Smiles
CC1CCC2C(=O)C3=C(CCC13C2(C)C)C
Herb Alias Names
Narucinone8-Oxocyperene4-Patchoulen-6-one4,10,11,11-tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-6-one
Molecular Weight
218.170
Molecular Weight
218.33
Molecule Formula
C15H22O
Molecular Formula
C15H22O
Molecular Formula
C15H22O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.652
Quantitative Estimate Of Drug Likeness（Qed）
0.605