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
- 15489
- Core Entity Id
- 20384
- Source Entity Count
- 1
- Preferred Name
- Cubeben camphor
- Name En
- Pubchem Id
- 11976203
- Smiles Canonical
- CC1CCC(C2C13C2C(CC3)(C)O)C(C)C
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.3720
- Inchikey
- KONGRWVLXLWGDV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3
- Isomeric Smiles
- CC1CCC(C2C13C2C(CC3)(C)O)C(C)C
- Cas Id
- Ob Score
- 56.2989
- Mol Logp
- 3.4657
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cubeben Camphor
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cubeben Camphor
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cubeben camphor
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cubeben camphor
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cubeben camphor
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cubeben camphor
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
BI CHENG QIE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cubeba Piper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL87742
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL87742
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
BI CHENG QIECubeba Piper(3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-olSCHEMBL87742
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021821
Npass
NPC118617
Tcmid
4303
Tcmsp
MOL013186
Sym Map
SMIT13873
Pub Chem
11976203
Tcmbank
TCMBANKIN046714
Etcm Ingredient
cubeben camphor
Itcmdb Generated
ITX-INGREDIENT-BF4AC75FB029
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3
Mol Wt
222.372
Mol Log P
3.465700000000003
Version
v1,v2
In Ch Ikey
KONGRWVLXLWGDV-UHFFFAOYSA-N
Ob Score
56.2989117456.29891256.299
Suppress
0
Tcm Name2
BI CHENG QIE
Mol2 Path
/TCM_database/2007_3d_all/04304.mol2
Reference
6
Num Hdonors
1
Tcm Name En
Cubeba Piper
Drug Likeness
0.72
Num Hacceptors
1
Isomeric Smiles
CC1CCC(C2C13C2C(CC3)(C)O)C(C)C
Molecule Weight
222.41
Canonical Smiles
CC1CCC(C2C13C2C(CC3)(C)O)C(C)C
Herb Alias Names
SCHEMBL87742(3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
Molecular Weight
222.200
Molecular Weight
222.41
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.720