Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24674
- Core Entity Id
- 30619
- Source Entity Count
- 1
- Preferred Name
- Linderoxide
- Name En
- Pubchem Id
- 12311268
- Smiles Canonical
- CC12CC3=C(CC1C(=C)C4C2C4)C(=CO3)COC
- Molecular Formula
- C16H20O2
- Molecular Weight
- 244.3340
- Inchikey
- KZNQSIGXNNTADH-UZMCECQYSA-N
- Inchi
- InChI=1S/C16H20O2/c1-9-11-4-14(11)16(2)6-15-12(5-13(9)16)10(7-17-3)8-18-15/h8,11,13-14H,1,4-7H2,2-3H3/t11-,13+,14-,16-/m1/s1
- Isomeric Smiles
- C[C@@]12CC3=C(C[C@H]1C(=C)[C@@H]4[C@H]2C4)C(=CO3)COC
- Cas Id
- 17910-10-0
- Ob Score
- 44.9540
- Mol Logp
- 3.3530
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Linderoxide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Linderoxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Linderoxide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Linderoxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
linderoxide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
linderoxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S,9S,10R,12S)-4-(methoxymethyl)-9-methyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-diene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,9S,10R,12S)-4-(methoxymethyl)-9-methyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-diene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aS)-4,4a,5,5aalpha,6,6aalpha,6b,7-Octahydro-3-(methoxymethyl)-6bbeta-methyl-5-methylenecycloprop[2,3]indeno[5
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4aS)-4,4a,5,5aalpha,6,6aalpha,6b,7-Octahydro-3-(methoxymethyl)-6bbeta-methyl-5-methylenecycloprop[2,3]indeno[5
Role
alias
Source
HERB_v2
Preferred
No
Name
17910-10-0
Role
alias
Source
HERB_v2
Preferred
No
Name
17910-10-0
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1S,9S,10R,12S)-4-(methoxymethyl)-9-methyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-diene(4aS)-4,4a,5,5aalpha,6,6aalpha,6b,7-Octahydro-3-(methoxymethyl)-6bbeta-methyl-5-methylenecycloprop[2,3]indeno[517910-10-0
Cross References
Trusted external identifiers retained for this final record.
Cas
17910-10-0
Herb
HBIN033314
Npass
NPC232803
Tcmid
24062
Tcmsp
MOL010914
Sym Map
SMIT00311
Tcm Id
2944
Pub Chem
12311268
Tcmbank
TCMBANKIN015131
Etcm Ingredient
linderoxide
Itcmdb Generated
ITX-INGREDIENT-01AE2153E079
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H20O2/c1-9-11-4-14(11)16(2)6-15-12(5-13(9)16)10(7-17-3)8-18-15/h8,11,13-14H,1,4-7H2,2-3H3/t11-,13+,14-,16-/m1/s1
Mol Wt
244.334
Cas Id
17910-10-0
Smiles
CC12CC3=C(CC1C(=C)C4C2C4)C(=CO3)COC
Mol Log P
3.353000000000002
Version
v1,v2
In Ch Ikey
KZNQSIGXNNTADH-UZMCECQYSA-N
Ob Score
44.95444.954171744.954172
Suppress
0
Num Hdonors
0
Drug Likeness
0.744
Num Hacceptors
2
Isomeric Smiles
C[C@@]12CC3=C(C[C@H]1C(=C)[C@@H]4[C@H]2C4)C(=CO3)COC
Molecule Weight
184.36
Canonical Smiles
CC12CC3=C(CC1C(=C)C4C2C4)C(=CO3)COC
Herb Alias Names
17910-10-0(1S,9S,10R,12S)-4-(methoxymethyl)-9-methyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-diene(4aS)-4,4a,5,5aalpha,6,6aalpha,6b,7-Octahydro-3-(methoxymethyl)-6bbeta-methyl-5-methylenecycloprop[2,3]indeno[5
Molecular Weight
184.180
Molecular Weight
244.33
Molecule Formula
C16H20O2
Molecular Formula
C12H24O
Molecular Formula
C16H20O2
Molecular Formula
C16H20O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.030
Quantitative Estimate Of Drug Likeness（Qed）
0.411