Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 19Links: 27
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18237
- Core Entity Id
- 23446
- Source Entity Count
- 1
- Preferred Name
- (-)-epicedrol
- Name En
- Pubchem Id
- 6713078
- Smiles Canonical
- CC1CCC2C13CCC(C(C3)C2(C)C)(C)O
- Molecular Formula
- C15H26O
- Molecular Weight
- 222.3720
- Inchikey
- SVURIXNDRWRAFU-MIBAYGRRSA-N
- Inchi
- InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@@H]2[C@]13CC[C@]([C@H](C3)C2(C)C)(C)O
- Cas Id
- 19903-73-2
- Ob Score
- 87.6637
- Mol Logp
- 3.6098
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Epicedrol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(-)-Epicedrol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(-)-epicedrol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-epicedrol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Epicedrol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-pseudocedrol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-pseudocedrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2R,5S,7R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2R,5S,7R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
19903-73-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
19903-73-2
Role
alias
Source
HERB_v2
Preferred
No
Name
8-epicedrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-epicedrol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isocedranol
Role
alias
Source
HERB_v2
Preferred
No
Name
Isocedranol
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCIMech_000347
Role
alias
Source
HERB_v2
Preferred
No
Name
NCIMech_000347
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL6510353
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6510353
Role
alias
Source
itcmdb_public
Preferred
No
Name
epi-Cedrol
Role
alias
Source
HERB_v2
Preferred
No
Name
epi-Cedrol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Epicedrol(+)-pseudocedrol(1S,2R,5S,7R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol(3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol19903-73-28-epicedrolIsocedranolNCIMech_000347SCHEMBL6510353epi-Cedrol
Cross References
Trusted external identifiers retained for this final record.
Cas
19903-73-2
Herb
HBIN025321HBIN025322
Npass
NPC173691
Tcmid
33501
Tcmsp
MOL005423
Sym Map
SMIT07184
Pub Chem
6713078
Tcmbank
TCMBANKIN060587
Etcm Ingredient
(-)-Epicedrol
Itcmdb Generated
ITX-INGREDIENT-6A9300F82FB4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1
Mol Wt
222.372
Cas Id
19903-73-2
Smiles
CC1CCC2C13CCC(C(C3)C2(C)C)(C)O
Mol Log P
3.609800000000003
Version
v1,v2
In Ch Ikey
SVURIXNDRWRAFU-MIBAYGRRSA-N
Ob Score
87.66374187.664
Suppress
0
Num Hdonors
1
Drug Likeness
0.664
Num Hacceptors
1
Isomeric Smiles
C[C@@H]1CC[C@@H]2[C@]13CC[C@]([C@H](C3)C2(C)C)(C)O
Molecule Weight
222.41
Canonical Smiles
CC1CCC2C13CCC(C(C3)C2(C)C)(C)O
Herb Alias Names
19903-73-2epi-Cedrol8-epicedrol(1S,2R,5S,7R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol(3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-olIsocedranol(+)-pseudocedrolNCIMech_000347SCHEMBL6510353
Molecular Weight
222.200
Molecular Weight
222.37 g/mol
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Molecular Formula
C15H26O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.623
Quantitative Estimate Of Drug Likeness（Qed）
0.664