Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 20Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15498
- Core Entity Id
- 20394
- Source Entity Count
- 1
- Preferred Name
- Cubenol
- Name En
- Pubchem Id
- 11770062
- Smiles Canonical
- CC1CCC(C2C1(CCC(=C2)C)O)C(C)C
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.3720
- Inchikey
- COGPRPSWSKLKTF-CBBWQLFWSA-N
- Inchi
- InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@H]([C@H]2[C@]1(CCC(=C2)C)O)C(C)C
- Cas Id
- 21284-22-0
- Ob Score
- 57.9082
- Mol Logp
- 3.7759
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-cubenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cubenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cubenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cubenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cubenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Cubenol
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Cubenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4R,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-4a(2H)-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4R,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-4a(2H)-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol-, [1S-(1.alpha.,4.beta.,4a.beta.,8a.alpha.)]-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol-, [1S-(1.alpha.,4.beta.,4a.beta.,8a.alpha.)]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
10.beta.H-Cadin-4-en-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
10.beta.H-Cadin-4-en-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
21284-22-0
Role
alias
Source
HERB_v2
Preferred
No
Name
21284-22-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:156224
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:156224
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90880712
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90880712
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL437170
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL437170
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epicubenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
epicubenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-epi-cubenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4R,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
19912-67-5
Role
alias
Source
HERB_v2
Preferred
No
Name
4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4beta,4aalpha,8aalpha))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:156227
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID001318347
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ent-Epicubenol
Role
alias
Source
HERB_v2
Preferred
No
Name
epi-Cubenol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-cubenol(1S,4R,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-4a(2H)-ol(1S,4R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol-, [1S-(1.alpha.,4.beta.,4a.beta.,8a.alpha.)]-10.beta.H-Cadin-4-en-1-ol21284-22-0CHEBI:156224DTXSID90880712SCHEMBL437170Epicubenol(-)-epi-cubenol(1S,4R,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol19912-67-54a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4beta,4aalpha,8aalpha))-CHEBI:156227DTXSID001318347Ent-Epicubenolepi-Cubenol
Cross References
Trusted external identifiers retained for this final record.
Cas
21284-22-0
Herb
HBIN003278HBIN021834HBIN025325
Npass
NPC30430
Tcmid
3254732549
Tcmsp
MOL007528MOL010120MOL013232
Sym Map
SMIT08942SMIT11191
Tcm Id
21079245985412
Pub Chem
117700625198571204614991753500
Tcmbank
TCMBANKIN060458TCMBANKIN007375
Etcm Ingredient
(-)-cubenol
Itcmdb Generated
ITX-INGREDIENT-DD4B0A6D94CE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m1/s1
Mol Wt
222.372
Cas Id
21284-22-0
Smiles
CC1CCC(C2C1(CCC(=C2)C)O)C(C)C
Mol Log P
3.775900000000003
Version
v1,v2
In Ch Ikey
COGPRPSWSKLKTF-CBBWQLFWSA-N
Ob Score
57.9081912457.90819124;62.5374257157.908191;62.537426
Suppress
0
Num Hdonors
1
Drug Likeness
0.669
Num Hacceptors
1
Isomeric Smiles
C[C@@H]1CC[C@H]([C@H]2[C@]1(CCC(=C2)C)O)C(C)C
Molecule Weight
222.41
Canonical Smiles
CC1CCC(C2C1(CCC(=C2)C)O)C(C)C
Herb Alias Names
(-)-Cubenol(1S,4R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-olCHEBI:15622421284-22-0(1S,4R,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,6,8a-hexahydronaphthalen-4a(2H)-ol1-Isopropyl-4,7-dimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenol-, [1S-(1.alpha.,4.beta.,4a.beta.,8a.alpha.)]-10.beta.H-Cadin-4-en-1-olDTXSID90880712SCHEMBL437170
Molecular Weight
222.200
Molecular Weight
222.37
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.021
Quantitative Estimate Of Drug Likeness（Qed）
0.669