Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 10Links: 22
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24229
- Core Entity Id
- 30117
- Source Entity Count
- 1
- Preferred Name
- Lasiodiplodin
- Name En
- Pubchem Id
- 14562696
- Smiles Canonical
- CC1CCCCCCCC2=C(C(=CC(=C2)O)OC)C(=O)O1
- Molecular Formula
- C17H24O4
- Molecular Weight
- 292.3750
- Inchikey
- OKWRDLQBKAOJNC-LBPRGKRZSA-N
- Inchi
- InChI=1S/C17H24O4/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(20-2)16(13)17(19)21-12/h10-12,18H,3-9H2,1-2H3/t12-/m0/s1
- Isomeric Smiles
- C[C@H]1CCCCCCCC2=C(C(=CC(=C2)O)OC)C(=O)O1
- Cas Id
- Ob Score
- Mol Logp
- 3.8428
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lasiodiplodin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lasiodiplodin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lasiodiplodin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
lasiodiplodin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(4S)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo(10.4.0)hexadeca-1(12),13,15-trien-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4S)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(9S)-15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo(10.4.0)hexadeca-1(12),13,15-trien-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(9S)-15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-Lasiodiplodin
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-Lasiodiplodin
Role
alias
Source
itcmdb_public
Preferred
No
Name
32885-81-7
Role
alias
Source
HERB_v2
Preferred
No
Name
32885-81-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL393258
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL393258
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3401
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N3401
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL23484270
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL23484270
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4S)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo(10.4.0)hexadeca-1(12),13,15-trien-2-one(4S)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one(9S)-15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo(10.4.0)hexadeca-1(12),13,15-trien-11-one(9S)-15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-11-one(S)-Lasiodiplodin32885-81-7CHEMBL393258HY-N3401SCHEMBL23484270
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032696
Npass
NPC67650
Tcmid
32666
Pub Chem
14562696
Tcmbank
TCMBANKIN021722
Etcm Ingredient
lasiodiplodin
Itcmdb Generated
ITX-INGREDIENT-37732AE1E19D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H24O4/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(20-2)16(13)17(19)21-12/h10-12,18H,3-9H2,1-2H3/t12-/m0/s1
Mol Wt
292.3750000000001
Smiles
CC1CCCCCCCC2=C(C(=CC(=C2)O)OC)C(=O)O1
Mol Log P
3.842800000000003
In Ch Ikey
OKWRDLQBKAOJNC-LBPRGKRZSA-N
Num Hdonors
1
Drug Likeness
0.799
Num Hacceptors
4
Isomeric Smiles
C[C@H]1CCCCCCCC2=C(C(=CC(=C2)O)OC)C(=O)O1
Canonical Smiles
CC1CCCCCCCC2=C(C(=CC(=C2)O)OC)C(=O)O1
Herb Alias Names
32885-81-7(4S)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one(9S)-15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-11-one(S)-Lasiodiplodin(4S)-14-hydroxy-16-methoxy-4-methyl-3-oxabicyclo(10.4.0)hexadeca-1(12),13,15-trien-2-one(9S)-15-hydroxy-13-methoxy-9-methyl-10-oxabicyclo(10.4.0)hexadeca-1(12),13,15-trien-11-oneCHEMBL393258SCHEMBL23484270HY-N3401
Molecular Weight
292.170
Molecular Weight
292.4 g/mol
Molecular Formula
C17H24O4
Molecular Formula
C17H24O4
Molecular Formula
C17H24O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.631
Quantitative Estimate Of Drug Likeness（Qed）
0.799