Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 2Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32673
- Core Entity Id
- 39509
- Source Entity Count
- 1
- Preferred Name
- (?)-saucerneol methyl ether
- Name En
- Pubchem Id
- 102384748
- Smiles Canonical
- CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC(C)(C)C(C4=CC(=C(C=C4)OC)OC)O)OC)C
- Molecular Formula
- C33H42O8
- Molecular Weight
- 566.6910
- Inchikey
- STRQEFZHQVVBML-HMLCJZFISA-N
- Inchi
- InChI=1S/C33H42O8/c1-19-20(2)31(40-30(19)21-10-13-24(35-5)27(16-21)37-7)22-11-15-26(29(17-22)39-9)41-33(3,4)32(34)23-12-14-25(36-6)28(18-23)38-8/h10-20,30-32,34H,1-9H3/t19-,20-,30+,31+,32?/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]([C@@H](O[C@H]1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC(C)(C)C(C4=CC(=C(C=C4)OC)OC)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 6.7054
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.2740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Saucerneol methyl ether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(?)-saucerneol methyl ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-saucerneol methyl ether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(?)-saucerneol methyl ether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(−)-Saucerneol Methyl Ether
Role
preferred
Source
SymMap_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(-)-Saucerneol methyl ether(−)-Saucerneol Methyl Ether
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043223
Tcmid
19388
Sym Map
SMIT17605
Pub Chem
102384748
Tcmbank
TCMBANKIN012070
Etcm Ingredient
(-)-Saucerneol methyl ether
Itcmdb Generated
ITX-INGREDIENT-DD993A303290
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C33H42O8/c1-19-20(2)31(40-30(19)21-10-13-24(35-5)27(16-21)37-7)22-11-15-26(29(17-22)39-9)41-33(3,4)32(34)23-12-14-25(36-6)28(18-23)38-8/h10-20,30-32,34H,1-9H3/t19-,20-,30+,31+,32?/m0/s1
Mol Wt
566.6910000000003
Smiles
CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC(C)(C)C(C4=CC(=C(C=C4)OC)OC)O)OC)C
Mol Log P
6.705400000000009
Version
v1
In Ch Ikey
STRQEFZHQVVBML-HMLCJZFISA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.274
Num Hacceptors
8
Isomeric Smiles
C[C@H]1[C@@H]([C@@H](O[C@H]1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC(C)(C)C(C4=CC(=C(C=C4)OC)OC)O)OC)C
Canonical Smiles
CC1C(C(OC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC(C)(C)C(C4=CC(=C(C=C4)OC)OC)O)OC)C
Molecular Weight
552.270
Molecular Weight
566.7 g/mol
Molecular Formula
C32H40O8
Molecular Formula
C33H42O8
Molecular Formula
C33H42O8
Num Rotatable Bonds
11
Fda Maximum Daily Dose (Fdamdd)
0.388
Quantitative Estimate Of Drug Likeness（Qed）
0.296