Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20984
- Core Entity Id
- 26509
- Source Entity Count
- 1
- Preferred Name
- Hainanolide
- Name En
- Pubchem Id
- 188356
- Smiles Canonical
- CC1C2C3C4C5C1(CCC6=CC(=O)C=C(C(=C56)C4O2)C)C(=O)O3
- Molecular Formula
- C19H18O4
- Molecular Weight
- 310.3490
- Inchikey
- QNJIIOHVULPMRL-OFSDVKARSA-N
- Inchi
- InChI=1S/C19H18O4/c1-7-5-10(20)6-9-3-4-19-8(2)15-17(23-18(19)21)13-14(19)12(9)11(7)16(13)22-15/h5-6,8,13-17H,3-4H2,1-2H3/t8-,13+,14+,15?,16+,17?,19?/m0/s1
- Isomeric Smiles
- C[C@H]1C2C3[C@@H]4[C@@H]5C1(CCC6=CC(=O)C=C(C(=C56)[C@H]4O2)C)C(=O)O3
- Cas Id
- Ob Score
- Mol Logp
- 2.0162
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hainanolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hainanolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hainanolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hainanolide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
hainanolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(11s,12r,13s,19r)-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(11s,12r,13s,19r)-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,11-Dimethyl-2a,4a,9,10,10b,10c-hexahydro-1H-3,10a-methano-2,4-dioxacyclohepta[bc]cyclopenta[jk]acenaphthylene-1,7(3H)-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,11-Dimethyl-2a,4a,9,10,10b,10c-hexahydro-1H-3,10a-methano-2,4-dioxacyclohepta[bc]cyclopenta[jk]acenaphthylene-1,7(3H)-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
64761-48-4
Role
alias
Source
HERB_v2
Preferred
No
Name
64761-48-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80983382
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80983382
Role
alias
Source
HERB_v2
Preferred
No
Name
F83950
Role
alias
Source
HERB_v2
Preferred
No
Name
F83950
Role
alias
Source
itcmdb_public
Preferred
No
Name
Harringtonolide
Role
alias
Source
HERB_v2
Preferred
No
Name
Harringtonolide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(11s,12r,13s,19r)-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione5,11-Dimethyl-2a,4a,9,10,10b,10c-hexahydro-1H-3,10a-methano-2,4-dioxacyclohepta[bc]cyclopenta[jk]acenaphthylene-1,7(3H)-dione64761-48-4DTXSID80983382F83950Harringtonolide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028744
Npass
NPC94048
Tcmid
9193
Sym Map
SMIT24350
Tcm Id
2118321184247303875
Pub Chem
18835656841078
Tcmbank
TCMBANKIN009541
Etcm Ingredient
Hainanolide
Itcmdb Generated
ITX-INGREDIENT-4A347D22ED8DITX-INGREDIENT-BFBF8F24D842
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H18O4/c1-7-5-10(20)6-9-3-4-19-8(2)15-17(23-18(19)21)13-14(19)12(9)11(7)16(13)22-15/h5-6,8,13-17H,3-4H2,1-2H3/t8-,13+,14+,15?,16+,17?,19?/m0/s1
Mol Wt
310.349
Smiles
CC1C2C3C4C5C1(CCC6=CC(=O)C=C(C(=C56)C4O2)C)C(=O)O3
Mol Log P
2.01622
Version
v2
In Ch Ikey
QNJIIOHVULPMRL-OFSDVKARSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.688
Num Hacceptors
4
Isomeric Smiles
C[C@H]1C2C3[C@@H]4[C@@H]5C1(CCC6=CC(=O)C=C(C(=C56)[C@H]4O2)C)C(=O)O3
Canonical Smiles
CC1C2C3C4C5C1(CCC6=CC(=O)C=C(C(=C56)C4O2)C)C(=O)O3
Herb Alias Names
(11s,12r,13s,19r)-8,19-dimethyl-14,17-dioxahexacyclo[13.3.1.01,11.04,10.09,13.012,16]nonadeca-4,7,9-triene-6,18-dione64761-48-4HarringtonolideDTXSID809833825,11-Dimethyl-2a,4a,9,10,10b,10c-hexahydro-1H-3,10a-methano-2,4-dioxacyclohepta[bc]cyclopenta[jk]acenaphthylene-1,7(3H)-dioneF83950
Molecular Weight
310.120
Molecular Weight
310.3 g/mol
Molecular Formula
C19H18O4
Molecular Formula
C19H18O4
Molecular Formula
C19H18O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.886
Quantitative Estimate Of Drug Likeness（Qed）
0.688