Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 12Ingredient: 1Target: 9Links: 21
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35321
- Core Entity Id
- 42448
- Source Entity Count
- 1
- Preferred Name
- T-muurolol
- Name En
- Pubchem Id
- 3084331
- Smiles Canonical
- CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.3720
- Inchikey
- LHYHMMRYTDARSZ-AJNGGQMLSA-N
- Inchi
- InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1
- Isomeric Smiles
- CC1=C[C@H]2[C@@H](CC[C@]([C@H]2CC1)(C)O)C(C)C
- Cas Id
- 19912-62-0
- Ob Score
- 30.4140
- 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
T-Muurolol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
T-Muurolol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
T-Muurolol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
T-muurolol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
T-muurolol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-tau-muurolol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
.tau.-Muurolol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-(1alpha,4alpha,4aalpha,8aalpha))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-(1alpha,4alpha,4aalpha,8aalpha))-
Role
alias
Source
HERB_v2
Preferred
No
Name
19912-62-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
19912-62-0
Role
alias
Source
HERB_v2
Preferred
No
Name
Muurolol T
Role
alias
Source
HERB_v2
Preferred
No
Name
Muurolol T
Role
alias
Source
itcmdb_public
Preferred
No
Name
T-MuuroloI
Role
alias
Source
HERB_v2
Preferred
No
Name
T-MuuroloI
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-epi-muurolol
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-epi-muurolol
Role
alias
Source
itcmdb_public
Preferred
No
Name
epi-alpha-Muurolol
Role
alias
Source
HERB_v2
Preferred
No
Name
epi-alpha-Muurolol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-tau-muurolol(1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol.tau.-Muurolol1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-(1alpha,4alpha,4aalpha,8aalpha))-19912-62-0Muurolol TT-MuuroloIalpha-epi-muurololepi-alpha-Muurolol
Cross References
Trusted external identifiers retained for this final record.
Cas
19912-62-0
Herb
HBIN046497
Npass
NPC282694
Tcmid
151333828739888
Tcmsp
MOL003537
Sym Map
SMIT05594
Tcm Id
20799
Pub Chem
3084331
Tcmbank
TCMBANKIN001662
Etcm Ingredient
T-Muurolol
Itcmdb Generated
ITX-INGREDIENT-5D187530C04EITX-INGREDIENT-AADE068B70EB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1
Mol Wt
222.372
Cas Id
19912-62-0
Mol Log P
3.775900000000003
Version
v1,v2
In Ch Ikey
LHYHMMRYTDARSZ-AJNGGQMLSA-N
Ob Score
30.41430.41445229
Suppress
0
Tcm Name
台湾杉
Tcm Name2
TAI WAN SHAN
Mol2 Path
/TCM_database/2007_3d_all/15141.mol2
Reference
4371, 5088
Num Hdonors
1
Tcm Name En
Cryptomeria-like Taiwania
Drug Likeness
0.669
Num Hacceptors
1
Isomeric Smiles
CC1=C[C@H]2[C@@H](CC[C@]([C@H]2CC1)(C)O)C(C)C
Molecule Weight
222.41
Canonical Smiles
CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
Herb Alias Names
19912-62-0(1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-(1alpha,4alpha,4aalpha,8aalpha))-.tau.-MuurololMuurolol TT-MuuroloIalpha-epi-muurololepi-alpha-Muurolol(-)-tau-muurolol
Molecular Weight
222.200
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.041
Quantitative Estimate Of Drug Likeness（Qed）
0.669