Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24089
- Core Entity Id
- 29960
- Source Entity Count
- 1
- Preferred Name
- Lacinilene-c-7-methyl ether
- Name En
- Pubchem Id
- 108125
- Smiles Canonical
- CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O
- Molecular Formula
- C16H20O3
- Molecular Weight
- 260.3330
- Inchikey
- VMEKKHYIQYOLHA-MRXNPFEDSA-N
- Inchi
- InChI=1S/C16H20O3/c1-9(2)11-7-15(17)16(4,18)13-8-14(19-5)10(3)6-12(11)13/h6-9,18H,1-5H3/t16-/m1/s1
- Isomeric Smiles
- CC1=CC2=C(C=C1OC)[C@@](C(=O)C=C2C(C)C)(C)O
- Cas Id
- 56362-72-2
- Ob Score
- 35.6796
- Mol Logp
- 2.8332
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lacinilene C 7-methyl ether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lacinilene-C-7-Methyl Ether
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lacinilene-C-7-methyl ether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Lacinilene-c-7-methyl ether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lacinilene-c-7-methyl ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
陆地棉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LU DI MIAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Upland Cotton
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R)-1-hydroxy-7-methoxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R)-1-hydroxy-7-methoxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hydroxy-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hydroxy-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hydroxy-7-methoxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hydroxy-7-methoxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
56362-72-2
Role
alias
Source
HERB_v2
Preferred
No
Name
56362-72-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L33DZ
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L33DZ
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1Q6I1S
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1Q6I1S
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6348
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6348
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2206801
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2206801
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lacinilene C 7-methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lacinilene C 7-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
lacinilene C methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
lacinilene C methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Lacinilene C 7-methyl ether陆地棉LU DI MIANUpland Cotton(1R)-1-hydroxy-7-methoxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one1-Hydroxy-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone1-Hydroxy-7-methoxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1H)-one56362-72-2AC1L33DZAC1Q6I1SCHEBI:6348CHEMBL2206801lacinilene C methyl ether
Cross References
Trusted external identifiers retained for this final record.
Cas
56362-72-2
Herb
HBIN032521HBIN032522
Npass
NPC312560
Tcmid
1242731410
Tcmsp
MOL010468
Sym Map
SMIT11517SMIT19295
Pub Chem
108125
Tcmbank
TCMBANKIN021393TCMBANKIN059949
Etcm Ingredient
Lacinilene C 7-methyl ether
Itcmdb Generated
ITX-INGREDIENT-2444EC29C095ITX-INGREDIENT-9026A0FC4592
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H20O3/c1-9(2)11-7-15(17)16(4,18)13-8-14(19-5)10(3)6-12(11)13/h6-9,18H,1-5H3/t16-/m1/s1
Mol Wt
260.333
Cas Id
56362-72-2
Smiles
CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O
Mol Log P
2.833220000000002
Version
v1,v2
In Ch Ikey
VMEKKHYIQYOLHA-MRXNPFEDSA-N
Ob Score
35.679601935.68
Suppress
1
Tcm Name
陆地棉
Tcm Name2
LU DI MIAN
Reference
658
Num Hdonors
1
Tcm Name En
Upland Cotton
Drug Likeness
0.889
Num Hacceptors
3
Isomeric Smiles
CC1=CC2=C(C=C1OC)[C@@](C(=O)C=C2C(C)C)(C)O
Molecule Weight
260.36
Canonical Smiles
CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O
Herb Alias Names
Lacinilene C 7-methyl ether56362-72-2lacinilene C methyl etherCHEBI:6348(1R)-1-hydroxy-7-methoxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one1-Hydroxy-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenoneAC1L33DZAC1Q6I1S1-Hydroxy-7-methoxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1H)-oneCHEMBL2206801
Molecular Weight
260.140
Molecular Weight
260.33
Molecular Formula
C16H20O3
Molecular Formula
C16H20O3
Molecular Formula
C16H20O3
Num Rotatable Bonds
2
Link Ingredient Id
11517.0
Fda Maximum Daily Dose (Fdamdd)
0.400
Quantitative Estimate Of Drug Likeness（Qed）
0.844